Geometry & MOs

Info

ID:	336382
PubChem CID:	127255389
Reduced:	N2O4C14H19 (2)
Stoich.:	A2B4C14D19 (2)
Weight, g/mol:	133.01975
ΔH_f, kcal/mol:	-349.3
Dipole, Da:	5.47
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,2-thiazol-3-one;hydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)N.CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations