Geometry & MOs

Info

ID:	283848
PubChem CID:	104012524
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	294.99564
ΔH_f, kcal/mol:	22.73
Dipole, Da:	6.31
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[amino-(3-bromo-5-nitrophenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CCC/C(=C(\C1=CC=C(C=C1)C(C)(C)C)/N)/C#N

DOS

IR

Vibrations