Geometry & MOs

Info

ID:	136227
PubChem CID:	52002348
Reduced:	FON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	3.35
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(6-methylindazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2C=NN(C2=CC=C1)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations