Geometry & MOs

Info

ID:	270707
PubChem CID:	103637767
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	73.67
Dipole, Da:	5.35
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclopropyl(ethyl)amino]ethylamino]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCN(CCNC1=C2C=CSC2=NC=N1)C3CC3

DOS

IR

Vibrations