Geometry & MOs

Info

ID:	310621
PubChem CID:	126583901
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	322.07936
ΔH_f, kcal/mol:	-27.85
Dipole, Da:	8.21
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-iodocyclohexyl)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C[C@@H](CO)N

DOS

IR

Vibrations