Geometry & MOs

Info

ID:	252845
PubChem CID:	103114567
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	1.76
IP(EA), eV:	-9.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)N)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations