Geometry & MOs

Info

ID:	142761
PubChem CID:	53086641
Reduced:	ClN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	10.16
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3Cl)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations