Geometry & MOs

Info

ID:	332282
PubChem CID:	127250568
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	4.79
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations