Geometry & MOs

Info

ID:	231749
PubChem CID:	87574572
Reduced:	NO3C9H22 (1)
Stoich.:	AB3C9D22 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-115.69
Dipole, Da:	1.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750635
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethoxy-3-methylhex-2-ene

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC(OC)(OC)OC

DOS

IR

Vibrations