Geometry & MOs

Info

ID:	123467
PubChem CID:	50849066
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	77.62
Dipole, Da:	5.85
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CN(CCC2=CSC=N2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations