Geometry & MOs

Info

ID:	420950
PubChem CID:	135115114
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	0.94
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

DOS

IR

Vibrations