Geometry & MOs

Info

ID:	48969
PubChem CID:	11528536
Reduced:	O2N3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756559
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-hexyl-2-methyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CC1(CC(C(N1[O])(C)C)NC(=O)N)C

DOS

IR

Vibrations