Geometry & MOs

Info

ID:	332092
PubChem CID:	127250378
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	9.34
Dipole, Da:	5.22
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-1,3-dimethylindol-2-yl)-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations