Geometry & MOs

Info

ID:	34434
PubChem CID:	7978462
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	423.156099
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	4.96
IP(EA), eV:	-9.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations