Geometry & MOs

Info

ID:	312391
PubChem CID:	126604573
Reduced:	NC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	356.29266
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	1.09
IP(EA), eV:	-8.62(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-5-(2-methylbutoxy)-3-[[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxymethyl]hexyl]oxirane

Drug info:

PubChemData

Smile

CC1C=C(C=CC1NC(C)(C)C)C

DOS

IR

Vibrations