Geometry & MOs

Info

ID:	321932
PubChem CID:	126667403
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	8.08
IP(EA), eV:	-9.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-ylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC(=C2)C#N)C3=CC(=C(C=C3)C(=O)O)O

DOS

IR

Vibrations