Geometry & MOs

Info

ID:	71472
PubChem CID:	48414928
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	6.69
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3

DOS

IR

Vibrations