Geometry & MOs

Info

ID:	261406
PubChem CID:	103231278
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	7.53
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-adamantylamino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NCCN4C=C(N=N4)C(=O)O

DOS

IR

Vibrations