Geometry & MOs

Info

ID:	166011
PubChem CID:	74626250
Reduced:	ClFNO6C22H23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	347.17644
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	4.09
IP(EA), eV:	-8.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(cyclopropyl)amino]methyl]-7-chloro-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C=CC2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations