Geometry & MOs

Info

ID:	386907
PubChem CID:	134983337
Reduced:	NO5H29C30 (1)
Stoich.:	AB5C29D30 (1)
Weight, g/mol:	244.125201
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	4.65
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,9R,10R)-4-phenyltetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=C(C3=CC4=C(C=C3C2(C)N5CCOCC5)OCO4)C6=CC=C(C=C6)OC

DOS

IR

Vibrations