Geometry & MOs

Info

ID:	243825
PubChem CID:	99239877
Reduced:	BrN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	432.12732
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	4.74
IP(EA), eV:	-8.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@@H](C)NC(=O)C2=NNC(=C2Br)C3CC3)OC

DOS

IR

Vibrations