Geometry & MOs

Info

ID:	53934
PubChem CID:	14718412
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations