Geometry & MOs

Info

ID:	265006
PubChem CID:	103507020
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	2.68
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(4-methylpentylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C(=C(S1)NCCCC(C)C)C#N)N

DOS

IR

Vibrations