Geometry & MOs

Info

ID:	198685
PubChem CID:	79136208
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	17.65
Dipole, Da:	3.15
IP(EA), eV:	-9.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-3-(3-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1CC(CC2=CC=CC=C21)(C#N)C(C3=CC=CC=C3)O

DOS

IR

Vibrations