Geometry & MOs

Info

ID:	53932
PubChem CID:	14718410
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	0.86
IP(EA), eV:	-8.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CN1CC[C@]23CC=CC[C@H]2[C@H]1CC4=C3C=C(C=C4)O

DOS

IR

Vibrations