Geometry & MOs

Info

ID:	55999
PubChem CID:	17398284
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	64.94
Dipole, Da:	9.37
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCN(CC4)CC5=CC=NC=C5

DOS

IR

Vibrations