Geometry & MOs

Info

ID:	165494
PubChem CID:	74558304
Reduced:	ON2C19H33 (1)
Stoich.:	AB2C19D33 (1)
Weight, g/mol:	267.170868
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	0.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756025
Charge, e:	1

Chem-info

IUPAC name:

5-methoxy-N-methyl-N-[(1-methylpiperidin-1-ium-2-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)CCC(C)C

DOS

IR

Vibrations