Geometry & MOs

Info

ID:	68273
PubChem CID:	46508093
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	2.96
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

DOS

IR

Vibrations