Geometry & MOs

Info

ID:	51655
PubChem CID:	12014362
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	7.97
IP(EA), eV:	-10.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,11R,12R)-3-(4-methylphenyl)-4,9-diazatetracyclo[10.2.1.02,11.03,9]pentadec-13-en-10-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2C3CC(C2C(=O)O)C=C3

DOS

IR

Vibrations