Geometry & MOs

Info

ID:	4023
PubChem CID:	10605
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	5.26
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Drug info:

PubChemData

Smile

CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC

DOS

IR

Vibrations