Geometry & MOs

Info

ID:	299846
PubChem CID:	117695918
Reduced:	O2N6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	329.118257
ΔH_f, kcal/mol:	41.83
Dipole, Da:	9.22
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-3-methyl-4-oxobutan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=CC=C(C=C2)NC3=CC(=NC=N3)OC4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations