Geometry & MOs

Info

ID:	122599
PubChem CID:	50813839
Reduced:	ClO2N3C26H30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	461.150619
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations