Geometry & MOs

Info

ID:

329601

PubChem CID:

126738925

Reduced:

NH20C25 (2)

Stoich.:

AB20C25 (2)

Weight, g/mol:

482.09535

ΔHf, kcal/mol:

174.66

Dipole, Da:

2.9

IP(EA), eV:

 -7.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,5S)-3-[3-[(3-bromoquinoline-8-carbonyl)amino]pyridin-4-yl]-5-methylcyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=CC=CC=C4N3C5=CC=CC6=CC=CC=C65)C7=CC=CC8=C7C9=CC=CC=C9C1=C8C=CCC1

DOS

IR

Vibrations