Geometry & MOs

Info

ID:	191471
PubChem CID:	78149820
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	410.304562
ΔH_f, kcal/mol:	-154.47
Dipole, Da:	9.47
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)NC2=CC(=C(C=C2)O)C(=O)O

DOS

IR

Vibrations