Geometry & MOs

Info

ID:	221562
PubChem CID:	85279763
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	27.35
Dipole, Da:	2.18
IP(EA), eV:	-9.12(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepine

Drug info:

PubChemData

Smile

CC(C=NO)N(CC=C)CC=C

DOS

IR

Vibrations