Geometry & MOs

Info

ID:	223546
PubChem CID:	85335214
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	422.27941
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	5.27
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-ethyl-4-methylphenyl)methylamino]-3-(4-piperazin-1-ylbutyl)-3aH-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(=C)CNCCCC(C)(C)C(=O)NC1=CC=CC(=C1)C2=C3CCCCC3C(=O)N=N2

DOS

IR

Vibrations