Geometry & MOs

Info

ID:	136229
PubChem CID:	52002805
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	2.8
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chlorophenyl)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=C(C=C4)F

DOS

IR

Vibrations