Geometry & MOs

Info

ID:	332367
PubChem CID:	127250653
Reduced:	SO3N6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-8.87
Dipole, Da:	3.6
IP(EA), eV:	-9.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]pyridin-3-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=CN=C(C=C2)C3CN(CCO3)CC(=O)NC4=NC=CS4

DOS

IR

Vibrations