Geometry & MOs

Info

ID:	333108
PubChem CID:	127251656
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	7.6
Dipole, Da:	3.85
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-[(3-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=CNC4=CC=CC=C43)NC5=CC=CC=N5

DOS

IR

Vibrations