Geometry & MOs

Info

ID:	217711
PubChem CID:	85088254
Reduced:	ON3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	391.99297
ΔH_f, kcal/mol:	8.79
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,7,8,9-tetrachloro-6-(hydroxymethyl)-10,10-dimethoxy-2-tricyclo[5.2.1.02,6]dec-8-enyl]methanol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)N=CC3CC3

DOS

IR

Vibrations