Geometry & MOs

Info

ID:	399570
PubChem CID:	135040971
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	234.079313
ΔH_f, kcal/mol:	110.31
Dipole, Da:	4.28
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-cyanophenyl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C(=C(N=N1)NC2=CC=CC=N2)C3CC3

DOS

IR

Vibrations