Geometry & MOs

Info

ID:	275259
PubChem CID:	103814871
Reduced:	ClOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	3.11
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations