Geometry & MOs

Info

ID:	333101
PubChem CID:	127251649
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	1.29
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations