Geometry & MOs

Info

ID:	136228
PubChem CID:	52002804
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-19.34
Dipole, Da:	1.72
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=NN2CCC(=O)N3CCN(CC3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations