Geometry & MOs

Info

ID:	333097
PubChem CID:	127251521
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	1.38
IP(EA), eV:	-9.43(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C(=NC(=N3)C)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations