Geometry & MOs

Info

ID:	122598
PubChem CID:	50813828
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	451.202655
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	4.56
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=NOC(=N2)C3=CC=CC=C3)OC4=CC(=CC=C4)Cl

DOS

IR

Vibrations