Geometry & MOs

Info

ID:	24121
PubChem CID:	607917
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	5.54
IP(EA), eV:	-8.75(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)C=O

DOS

IR

Vibrations