Geometry & MOs

Info

ID:	331885
PubChem CID:	127250171
Reduced:	ClO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	42.55
Dipole, Da:	5.97
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C3=CC=CC=C3N=N2)C4=NC=C(C=C4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations