Geometry & MOs

Info

ID:	140165
PubChem CID:	52656986
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	8.3
IP(EA), eV:	-9.14(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=CC=C2OC3CCCC3

DOS

IR

Vibrations