Geometry & MOs

Info

ID:	206759
PubChem CID:	80296104
Reduced:	OSN2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	0.43
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-4-hydroxybutyl)amino]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NC(=CS1)C

DOS

IR

Vibrations