Geometry & MOs

Info

ID:	20948
PubChem CID:	586341
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	6.53
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CCCCC2[N+](=O)[O-])O

DOS

IR

Vibrations