Geometry & MOs

Info

ID:	53930
PubChem CID:	14718407
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	6.62
Dipole, Da:	2.94
IP(EA), eV:	-8.48(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations