Geometry & MOs

Info

ID:	332946
PubChem CID:	127251370
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	3.07
IP(EA), eV:	-9.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-2-(2-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CNC(=O)C)C3=CN=C(C=C3)C(=O)NC

DOS

IR

Vibrations