Geometry & MOs

Info

ID:	25442
PubChem CID:	625119
Reduced:	O5H12C16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-129.18
Dipole, Da:	1.05
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)O

DOS

IR

Vibrations