Geometry & MOs

Info

ID:	333107
PubChem CID:	127251655
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	6.51
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)COCCN3CCCC3=O)NC4=CC=CC=N4

DOS

IR

Vibrations