Geometry & MOs

Info

ID:	332368
PubChem CID:	127250654
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	6.54
Dipole, Da:	3.98
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations