Geometry & MOs

Info

ID:	331811
PubChem CID:	127250095
Reduced:	FO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	2.7
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=C(C=C2)N)C3=CC=CC(=N3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations