Geometry & MOs

Info

ID:	157264
PubChem CID:	56422469
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	1.4
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations