Geometry & MOs

Info

ID:

311200

PubChem CID:

126589875

Reduced:

NOC10H11 (3)

Stoich.:

ABC10D11 (3)

Weight, g/mol:

575.372307

ΔHf, kcal/mol:

-63.05

Dipole, Da:

7.23

IP(EA), eV:

 -9.6(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-[4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethyl-5-(2-oxo-2-propan-2-yloxyethyl)pyridin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)N4CC5C(C4)C5(C)C)CC(=O)O

DOS

IR

Vibrations