Geometry & MOs

Info

ID:	202269
PubChem CID:	79648954
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	7.58
IP(EA), eV:	-9.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-amino-3-(2-fluorophenoxy)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations