Geometry & MOs

Info

ID:	18780
PubChem CID:	548176
Reduced:	NO2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	1.11
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)oxy]phenol

Drug info:

PubChemData

Smile

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC5=CC=C(C=C5)O

DOS

IR

Vibrations