Geometry & MOs

Info

ID:	26397
PubChem CID:	646587
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-182.75
Dipole, Da:	5.33
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxoethyl] 2-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CN(C1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)NC3=NC=CC(=C3)C

DOS

IR

Vibrations