Geometry & MOs

Info

ID:	434202
PubChem CID:	135174409
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	22.68
Dipole, Da:	1.82
IP(EA), eV:	-7.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-4,6,6-trimethyl-7,7a-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCC4=CC=CO4

DOS

IR

Vibrations