Geometry & MOs

Info

ID:	408211
PubChem CID:	135080972
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-136.53
Dipole, Da:	5.26
IP(EA), eV:	-10.41(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-acetylphenyl)-3-hydroxypropanenitrile

Drug info:

PubChemData

Smile

CCCCCCC1CC(C(=O)O1)(C)C

DOS

IR

Vibrations