Geometry & MOs

Info

ID:	136051
PubChem CID:	51971330
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	440.125133
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	2.78
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(4S)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N3[C@]1(CCC3=O)C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations