Geometry & MOs

Info

ID:	419293
PubChem CID:	135107905
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	1.96
IP(EA), eV:	-8.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(3H-benzimidazole-5-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)CNC2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations