Geometry & MOs

Info

ID:	405120
PubChem CID:	135072644
Reduced:	NOPCl2H16C20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	2.52
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-3-ethoxy-1-(4-methylphenyl)-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=N\P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)/C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations