Geometry & MOs

Info

ID:	387733
PubChem CID:	134986638
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	9.95
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-3-hydroxy-2,2-dimethyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CO/C(=C\2/C=CC=C2[N+](=O)[O-])/N1

DOS

IR

Vibrations