Geometry & MOs

Info

ID:	130277
PubChem CID:	51075485
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-181.91
Dipole, Da:	3.29
IP(EA), eV:	-9.02(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[methyl-(5-methylthiophene-2-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1C(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations