Geometry & MOs

Info

ID:	291440
PubChem CID:	112379008
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	5.19
IP(EA), eV:	-9.45(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-hydroxy-4-phenylbutan-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)NC(C)C(CC2=CC=CC=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations