Geometry & MOs

Info

ID:	153274
PubChem CID:	56312443
Reduced:	FON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.84
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations