Geometry & MOs

Info

ID:	201054
PubChem CID:	79484012
Reduced:	ClN2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	283.1606
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	2.27
IP(EA), eV:	-8.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N(CC1=C(C=CC(=C1)N)Cl)CC(C)C

DOS

IR

Vibrations