Geometry & MOs

Info

ID:	7071
PubChem CID:	71161
Reduced:	NO3C27H31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	417.230394
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	1.62
IP(EA), eV:	-8.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol

Drug info:

PubChemData

Smile

CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC

DOS

IR

Vibrations