Geometry & MOs

Info

ID:	173735
PubChem CID:	75676473
Reduced:	Br2N2O3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	407.091093
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.152052
Charge, e:	-1

Chem-info

IUPAC name:

N-(2-chloro-5-nitrophenyl)-2-cyano-3-(1-propan-2-ylindol-3-yl)prop-2-enimidate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C2C=C(C=C(C2=NC1=O)Br)Br)[O-]

DOS

IR

Vibrations