Geometry & MOs

Info

ID:	329766
PubChem CID:	127246633
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	338.154289
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	7.53
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-3-methyl-1H-indol-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)OC(=O)N4C

DOS

IR

Vibrations