Geometry & MOs

Info

ID:	333117
PubChem CID:	127251665
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	7.0
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-3-methylphenyl)-[2-[6-methyl-4-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=NC(=C2)C)C3CN(CCO3)C(=O)CC4=C(ON=C4C)C)C

DOS

IR

Vibrations