Geometry & MOs

Info

ID:	154990
PubChem CID:	56314550
Reduced:	BrN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	459.18413
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	6.42
IP(EA), eV:	-9.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)NC3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations