Geometry & MOs

Info

ID:	348456
PubChem CID:	127273557
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	6.29
IP(EA), eV:	-8.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)N4CCOCC4

DOS

IR

Vibrations