Geometry & MOs

Info

ID:	226720
PubChem CID:	87557818
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	9.13
IP(EA), eV:	-10.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-carbamothioyl-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations