Geometry & MOs

Info

ID:	182229
PubChem CID:	76861689
Reduced:	ClO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	5.15
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-6-oxodiazinane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)N)Cl)CC(C)C

DOS

IR

Vibrations