Geometry & MOs

Info

ID:

442989

PubChem CID:

135257296

Reduced:

N7H65C70 (1)

Stoich.:

A7B65C70 (1)

Weight, g/mol:

410.187339

ΔHf, kcal/mol:

237.15

Dipole, Da:

2.91

IP(EA), eV:

 -7.82(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-8-[5-(3-chlorophenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC(=CC(=C9)N1C2CCNCC2C2=CC=CC=C21)N1C2CCNCC2C2=CC=CC=C21

DOS

IR

Vibrations