Geometry & MOs

Info

ID:	147633
PubChem CID:	53787289
Reduced:	SC12O12H22 (1)
Stoich.:	AB12C12D22 (1)
Weight, g/mol:	145.052764
ΔH_f, kcal/mol:	-535.9
Dipole, Da:	5.83
IP(EA), eV:	-9.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C([C@H]([C@@H]([C@@H]([C@H](C(=O)SC(=O)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations