Geometry & MOs

Info

ID:	263289
PubChem CID:	103353198
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	5.21
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)CC2=C(C=NN2C)C(=O)O

DOS

IR

Vibrations