Geometry & MOs

Info

ID:	18506
PubChem CID:	541959
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-102.54
Dipole, Da:	4.33
IP(EA), eV:	-8.64(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

Drug info:

PubChemData

Smile

C1CC(=O)CC23C1C(CC4=C2C(=CC(=C4)O)O)NCC3

DOS

IR

Vibrations