Geometry & MOs

Info

ID:	10313
PubChem CID:	100175
Reduced:	NO7C28H29 (1)
Stoich.:	AB7C28D29 (1)
Weight, g/mol:	491.194402
ΔH_f, kcal/mol:	-169.06
Dipole, Da:	4.76
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations