Geometry & MOs

Info

ID:	71215
PubChem CID:	48414463
Reduced:	FON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	37.99
Dipole, Da:	4.14
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C3=C2CCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations