Geometry & MOs

Info

ID:	331783
PubChem CID:	127250067
Reduced:	F2O2N4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	3.61
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=C(C=CC=C4F)F

DOS

IR

Vibrations