Geometry & MOs

Info

ID:	152649
PubChem CID:	56311672
Reduced:	OF2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.39
IP(EA), eV:	-8.83(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations