Geometry & MOs

Info

ID:	231478
PubChem CID:	87573843
Reduced:	FO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	267.04261
ΔH_f, kcal/mol:	-219.53
Dipole, Da:	5.5
IP(EA), eV:	-10.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-acetyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C=C(C)C(=O)O)OCCOCCF

DOS

IR

Vibrations