Geometry & MOs

Info

ID:	20002
PubChem CID:	576514
Reduced:	Cl2N2O2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	350.058883
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	3.41
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichloroanilino)-4-hydroxy-3-(4-methylanilino)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=C(NC2=C(C=CC(=C2)Cl)Cl)O)C(=O)C

DOS

IR

Vibrations