Geometry & MOs

Info

ID:	333103
PubChem CID:	127251651
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	5.41
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(ON=C3C(C)C)C)NC4=NN=C(S4)C

DOS

IR

Vibrations