Geometry & MOs

Info

ID:	387296
PubChem CID:	134984809
Reduced:	ION2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	434.235814
ΔH_f, kcal/mol:	132.91
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.572132
Charge, e:	0

Chem-info

IUPAC name:

(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2,3-diphenyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-diene

Drug info:

PubChemData

Smile

C1C(N(/[N+](=C/C2=COC=C2)/C1C3=CC=CC=C3)CC4=CC=CC=C4I)C5=CC=CC=C5

DOS

IR

Vibrations