Geometry & MOs

Info

ID:	220863
PubChem CID:	85240214
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	98.4
Dipole, Da:	1.23
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1N=[N+]=[N-])N=CC2=CC=C(C=C2)OC

DOS

IR

Vibrations