Geometry & MOs

Info

ID:	48028
PubChem CID:	10536692
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	5.82
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,10R,11R)-7-methyl-3,8-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-3,12-dien-9-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC2)C(=C1/C=C/C(=O)O)C

DOS

IR

Vibrations