Geometry & MOs

Info

ID:	155897
PubChem CID:	56368195
Reduced:	BrClO2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	6.12
IP(EA), eV:	-9.03(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations