Geometry & MOs

Info

ID:	333110
PubChem CID:	127251658
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	8.17
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NN=CS4)C

DOS

IR

Vibrations