Geometry & MOs

Info

ID:	2024
PubChem CID:	5613
Reduced:	ON2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	172.063663
ΔH_f, kcal/mol:	36.11
Dipole, Da:	3.37
IP(EA), eV:	-9.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxyphenyl)methyl]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C#N)C#N)O

DOS

IR

Vibrations