Geometry & MOs

Info

ID:	34599
PubChem CID:	7978712
Reduced:	ClFN2O2C19H22 (1)
Stoich.:	ABC2D2E19F22 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	1.21
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations