Geometry & MOs

Info

ID:	82464
PubChem CID:	49856063
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	30.38
Dipole, Da:	6.64
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=CS4)CN

DOS

IR

Vibrations