Geometry & MOs

Info

ID:	34585
PubChem CID:	7978697
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	421.140449
ΔH_f, kcal/mol:	-94.49
Dipole, Da:	1.24
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations