Geometry & MOs

Info

ID:	34624
PubChem CID:	7978747
Reduced:	BrN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	422.135698
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	2.15
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations