Geometry & MOs

Info

ID:	346346
PubChem CID:	127270850
Reduced:	ClOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	39.16
Dipole, Da:	5.16
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)CC4=CC=C(S4)Cl)NN=C2

DOS

IR

Vibrations