Geometry & MOs

Info

ID:	21696
PubChem CID:	589557
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	5.81
IP(EA), eV:	-9.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxypropan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations