Geometry & MOs

Info

ID:	423276
PubChem CID:	135119225
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-184.27
Dipole, Da:	6.34
IP(EA), eV:	-8.87(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCOC1=CC=CC(=C1C)C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations