Geometry & MOs

Info

ID:	71208
PubChem CID:	48414453
Reduced:	OSN5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	101.54
Dipole, Da:	4.26
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-(furan-2-yl)-2-phenylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations