Geometry & MOs

Info

ID:	53411
PubChem CID:	14714942
Reduced:	NO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	4.4
IP(EA), eV:	-10.63(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-hydroxy-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations