Geometry & MOs

Info

ID:	45940
PubChem CID:	10519448
Reduced:	NOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	315.08735
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	4.27
IP(EA), eV:	-9.15(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,6S)-6-(4-chlorophenyl)-6-methoxy-4-nitrohexanoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N(C2CCCCC2)C(C)(C)C

DOS

IR

Vibrations