Geometry & MOs

Info

ID:	361849
PubChem CID:	127304820
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	5.63
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1H-indol-5-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations