Geometry & MOs

Info

ID:	486
PubChem CID:	2832
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	4.61
IP(EA), eV:	-8.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,10-tetramethoxy-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)OC)OC)OC)OC

DOS

IR

Vibrations