Geometry & MOs

Info

ID:	34554
PubChem CID:	7978659
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	407.161184
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	1.98
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCCC4=CC=CS4

DOS

IR

Vibrations