Geometry & MOs

Info

ID:	300465
PubChem CID:	121285146
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	536.205115
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-buta-1,3-diynyl-4-[[6-chloro-5-ethyl-3-(hydrazinylidenecarbamoyl)pyrazin-2-yl]amino]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=CC1=C(C(=O)C2=CC=CC=C2C1=O)OC)C(=O)N3CCN(CC3)CC

DOS

IR

Vibrations