Geometry & MOs

Info

ID:	194760
PubChem CID:	78587788
Reduced:	FN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	387.193334
ΔH_f, kcal/mol:	-207.39
Dipole, Da:	1.5
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-4-[1-cyano-2-(3-methoxyphenyl)ethyl]-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations