Geometry & MOs

Info

ID:	415039
PubChem CID:	135088025
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	3.74
IP(EA), eV:	-9.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[3-(2-phenylethoxy)benzoyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)C(=O)N2CCCN(CC2)C(=O)CC3=CC=NC=C3

DOS

IR

Vibrations