Geometry & MOs

Info

ID:	136205
PubChem CID:	51998266
Reduced:	N3O4H21C26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	4.15
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)chromene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

DOS

IR

Vibrations