Geometry & MOs

Info

ID:	395262
PubChem CID:	135025038
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	2.28
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,10R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-16-one

Drug info:

PubChemData

Smile

CN1[C@@H]([C@@H]2CCC=C[C@]2(CC1=O)C3=C(C(=CC=C3)OC)OC)C=O

DOS

IR

Vibrations