Geometry & MOs

Info

ID:	34478
PubChem CID:	7978522
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	404.1139
ΔH_f, kcal/mol:	-135.04
Dipole, Da:	7.32
IP(EA), eV:	-9.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-2-oxochromen-4-yl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C)Cl

DOS

IR

Vibrations