Geometry & MOs

Info

ID:	6112
PubChem CID:	67077
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	4.25
IP(EA), eV:	-8.6(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CCC#N)CCO

DOS

IR

Vibrations