Geometry & MOs

Info

ID:	306387
PubChem CID:	125011529
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	3.32
IP(EA), eV:	-8.91(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-fluoro-1H-indol-2-yl)-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CN(CCO2)C(=O)CN3C(=NC4=CC=CC=C43)C)C

DOS

IR

Vibrations