Geometry & MOs

Info

ID:	49561
PubChem CID:	11533260
Reduced:	ClFO2N5H21C26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	489.218305
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	2.12
IP(EA), eV:	-8.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-[2-(piperidin-1-ylmethyl)piperidine-1-carbonyl]phenyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(C=C1)/C=C/C2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations