Geometry & MOs

Info

ID:	392760
PubChem CID:	135017872
Reduced:	Cl2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	421.095997
ΔH_f, kcal/mol:	10.49
Dipole, Da:	4.57
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-nitroanilino)-N-[(4-chlorophenyl)methyl]-N-prop-2-enylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)Cl)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations