Geometry & MOs

Info

ID:	125961
PubChem CID:	50945927
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	3.26
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations