Geometry & MOs

Info

ID:	40153
PubChem CID:	8143656
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	371.9858
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	1.16
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-(4-bromophenyl)-N-(2-nitroanilino)-2-oxoethanimidoyl cyanide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations