Geometry & MOs

Info

ID:	204019
PubChem CID:	79901437
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	4.68
IP(EA), eV:	-9.11(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)CCNC1CCOC2(C1)CCCC2

DOS

IR

Vibrations