Geometry & MOs

Info

ID:	222249
PubChem CID:	85295672
Reduced:	O3N4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	270.121572
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768920
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1C=CN2C1C(=O)N(C(=O)N2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations