Geometry & MOs

Info

ID:	71415
PubChem CID:	48414827
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	396.142011
ΔH_f, kcal/mol:	4.84
Dipole, Da:	4.33
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations