Geometry & MOs

Info

ID:	346414
PubChem CID:	127270918
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	2.99
IP(EA), eV:	-8.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1CN2CCC(CC2)NC(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations