Geometry & MOs

Info

ID:	58378
PubChem CID:	24698091
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	3.24
IP(EA), eV:	-8.82(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2N3CCC(=O)CC3

DOS

IR

Vibrations