Geometry & MOs

Info

ID:	161088
PubChem CID:	57390729
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	397.131408
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	4.27
IP(EA), eV:	-9.04(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-oxobenzo[h]chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC2=C(C3=CC=CC=C3C(=C2)C)OC1=O

DOS

IR

Vibrations