Geometry & MOs

Info

ID:	372708
PubChem CID:	131302953
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	2.08
IP(EA), eV:	-9.01(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexen-1-yl)-1-nitropropan-2-ol

Drug info:

PubChemData

Smile

C[C@](C[C@H]1CCCC=[N+]1[O-])(CO)O

DOS

IR

Vibrations