Geometry & MOs

Info

ID:	30021
PubChem CID:	838932
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	3.8
IP(EA), eV:	-8.48(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(3-benzoylphenyl)propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)NC3CCCC3

DOS

IR

Vibrations