Geometry & MOs

Info

ID:	223521
PubChem CID:	85335172
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	412.143282
ΔH_f, kcal/mol:	-159.54
Dipole, Da:	6.52
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CSSC1CCCCC(=O)NC(CC2=CNC3=C2C=C(C=C3)O)C(=O)O

DOS

IR

Vibrations