Geometry & MOs

Info

ID:	332955
PubChem CID:	127251379
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	3.5
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-6-methylpyridin-4-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CN(C(=O)C=C3)C)C4=CN=C(N=C4)N

DOS

IR

Vibrations