Geometry & MOs

Info

ID:	329789
PubChem CID:	127246656
Reduced:	FON6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	453.173166
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	3.03
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[4-[2-[(5-fluoropyridin-2-yl)amino]pyridin-4-yl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN2CCC(CC2)C3=CN=CC(=N3)NC4=NC=C(C=C4)F)C

DOS

IR

Vibrations