Geometry & MOs

Info

ID:	71525
PubChem CID:	48415000
Reduced:	ClON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	410.157661
ΔH_f, kcal/mol:	19.1
Dipole, Da:	1.75
IP(EA), eV:	-8.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations