Geometry & MOs

Info

ID:	346345
PubChem CID:	127270849
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	374.09681
ΔH_f, kcal/mol:	28.37
Dipole, Da:	5.56
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations