Geometry & MOs

Info

ID:	282286
PubChem CID:	103921296
Reduced:	NOSC17H29 (1)
Stoich.:	ABCD17E29 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	1.34
IP(EA), eV:	-8.71(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-ethylcyclopropyl)amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CC(C)(C)C1=CC=CC=C1)NCCSCCCO

DOS

IR

Vibrations