Geometry & MOs

Info

ID:	20949
PubChem CID:	586342
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	5.98
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-(2-nitrocyclopentyl)methanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CCCC2[N+](=O)[O-])O

DOS

IR

Vibrations