Geometry & MOs

Info

ID:	347659
PubChem CID:	127272525
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	6.16
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-pyrrolidin-1-ylpyridazin-3-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=N4)O)C

DOS

IR

Vibrations