Geometry & MOs

Info

ID:	415444
PubChem CID:	135088438
Reduced:	ClFN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	2.89
Dipole, Da:	5.07
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations