Geometry & MOs

Info

ID:	379922
PubChem CID:	134964221
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	2.42
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S)-5-hydroxy-4-nitro-5-phenylpentanoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations