Geometry & MOs

Info

ID:	201936
PubChem CID:	79605645
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	4.14
IP(EA), eV:	-8.76(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methylanilino)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)N2CCC(CC2)CC(=O)O)C3CC3

DOS

IR

Vibrations