Geometry & MOs

Info

ID:	18683
PubChem CID:	546277
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	74.89
Dipole, Da:	3.37
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[(3-chlorophenyl)diazenyl]amino]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)N(CC#N)N=NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations