Geometry & MOs

Info

ID:	53933
PubChem CID:	14718411
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10R)-4-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Drug info:

PubChemData

Smile

CN1CCC23CC(=O)C=CC2C1CC4=C3C=C(C=C4)O

DOS

IR

Vibrations