Geometry & MOs

Info

ID:	273975
PubChem CID:	103806217
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	7.22
IP(EA), eV:	-9.3(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CNC1CCCN(C1)C(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations