Geometry & MOs

Info

ID:	70726
PubChem CID:	48413780
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	3.24
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations