Geometry & MOs

Info

ID:	414598
PubChem CID:	135087557
Reduced:	FON4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	5.32
IP(EA), eV:	-9.18(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CCNC(=O)CN(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations