Geometry & MOs

Info

ID:	374312
PubChem CID:	131326584
Reduced:	O2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	145.052764
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	3.29
IP(EA), eV:	-8.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-hydroxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C2C(=CSC2=C(C=C1)CO)SC

DOS

IR

Vibrations