Geometry & MOs

Info

ID:	20348
PubChem CID:	583253
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	13.31
Dipole, Da:	3.73
IP(EA), eV:	-10.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-2-methylbut-3-enyl)benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations