Geometry & MOs

Info

ID:	440911
PubChem CID:	135232161
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	428.02647
ΔH_f, kcal/mol:	37.95
Dipole, Da:	3.75
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-chloro-2-[(1R)-1-iodoethyl]imidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(S1)C2=CCCC(=N2)N

DOS

IR

Vibrations