Geometry & MOs

Info

ID:	216650
PubChem CID:	85086560
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	11.52
Dipole, Da:	5.36
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5,5,8a-trimethylspiro[3,6,7,8-tetrahydroisochromene-1,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

C1CC2C(CC1N2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N

DOS

IR

Vibrations