Geometry & MOs

Info

ID:	331966
PubChem CID:	127250252
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	0.85
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=C(C=C2)N)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations