Geometry & MOs

Info

ID:	401709
PubChem CID:	135052191
Reduced:	NPCl2O2C10H12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	5.67
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-amino-3-oxo-1,3-diphenylprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=[N+]1/C(=C(\[O-])/OC)/P(Cl)Cl

DOS

IR

Vibrations