Geometry & MOs

Info

ID:	261765
PubChem CID:	103249985
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-131.93
Dipole, Da:	5.93
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclohexylpropylamino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NCC2=CC(=C(O2)C(=O)O)C

DOS

IR

Vibrations