Geometry & MOs

Info

ID:	333133
PubChem CID:	127251681
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	5.87
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholin-4-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=CC=CC(=N4)C)C)C

DOS

IR

Vibrations