Geometry & MOs

Info

ID:	373108
PubChem CID:	131310084
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	50.72
Dipole, Da:	2.93
IP(EA), eV:	-9.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-(1-hydroxyethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N=C2C(=C(NN2)C#N)N1

DOS

IR

Vibrations