Geometry & MOs

Info

ID:	257269
PubChem CID:	103144807
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	6.43
IP(EA), eV:	-8.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethyl-4-nitroanilino)-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C)N

DOS

IR

Vibrations