Geometry & MOs

Info

ID:	34595
PubChem CID:	7978707
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-75.05
Dipole, Da:	0.91
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations