Geometry & MOs

Info

ID:	27440
PubChem CID:	821345
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	3.09
IP(EA), eV:	-8.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC5=C(C=C43)OCO5)OC)OC

DOS

IR

Vibrations