Geometry & MOs

Info

ID:	34537
PubChem CID:	7978638
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-111.34
Dipole, Da:	7.78
IP(EA), eV:	-9.72(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations