Geometry & MOs

Info

ID:	331729
PubChem CID:	127249812
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	5.65
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCOC(C3)C4=NC(=CC=C4)NC5=NOC(=C5)C)C)C

DOS

IR

Vibrations