Geometry & MOs

Info

ID:	51735
PubChem CID:	12014463
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	176.13928
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	1.83
IP(EA), eV:	-9.35(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-phenyl-2-(trideuteriomethyl)butanenitrile

Drug info:

PubChemData

Smile

CC(C)C(C)(C1=CC=CC=C1)C(C)O

DOS

IR

Vibrations