Geometry & MOs

Info

ID:	200280
PubChem CID:	79375934
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	4.63
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)OC)CC2=NC(=NO2)C3CC3

DOS

IR

Vibrations