Geometry & MOs

Info

ID:	398159
PubChem CID:	135032049
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	7.62
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2S)-2-nitrocyclopentyl]-1-phenylpentan-3-one

Drug info:

PubChemData

Smile

CCNC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C#N

DOS

IR

Vibrations