Geometry & MOs

Info

ID:	202265
PubChem CID:	79648267
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-75.75
Dipole, Da:	6.3
IP(EA), eV:	-9.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC1(CCC(C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations