Geometry & MOs

Info

ID:	372251
PubChem CID:	131294700
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	4.15
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-hydroxypropan-2-yl)phenyl]-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=C(C=CC(=C1)CC(C)(C)C)O

DOS

IR

Vibrations