Geometry & MOs

Info

ID:	357935
PubChem CID:	127295435
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-138.19
Dipole, Da:	4.43
IP(EA), eV:	-9.23(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1F)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations