Geometry & MOs

Info

ID:	51656
PubChem CID:	12014363
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	6.41
Dipole, Da:	4.22
IP(EA), eV:	-9.13(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,11S,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@@]23[C@H]4[C@H]5C[C@@H]([C@H]4C(=O)N2CCCCN3)C=C5

DOS

IR

Vibrations