Geometry & MOs

Info

ID:	329733
PubChem CID:	127246600
Reduced:	N2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	324.138639
ΔH_f, kcal/mol:	48.6
Dipole, Da:	3.65
IP(EA), eV:	-7.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)CC3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations