Geometry & MOs

Info

ID:	53931
PubChem CID:	14718409
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	0.85
IP(EA), eV:	-8.53(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-4-ol

Drug info:

PubChemData

Smile

CN1CCC23CC=CCC2C1CC4=C3C=C(C=C4)O

DOS

IR

Vibrations