Geometry & MOs

Info

ID:	292283
PubChem CID:	114828463
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	312.116004
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	3.04
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(chloromethyl)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)F)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations