Geometry & MOs

Info

ID:	333100
PubChem CID:	127251648
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	6.07
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=NC(=C2)C)C3CN(CCO3)C(=O)C4=CC=C(C=C4)COC)C

DOS

IR

Vibrations