Geometry & MOs

Info

ID:	243094
PubChem CID:	99215488
Reduced:	SO3N5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	7.61
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC[C@@H](C)NS(=O)(=O)C1=CN=C(C=C1)N2CCC(CC2)C(=O)NC3=CC=CC(=N3)C

DOS

IR

Vibrations