Geometry & MOs

Info

ID:	336503
PubChem CID:	127255510
Reduced:	ClO3N4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-185.26
Dipole, Da:	7.45
IP(EA), eV:	-9.73(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(5-methyl-1H-pyrazol-3-yl)amino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl

DOS

IR

Vibrations