Geometry & MOs

Info

ID:	136350
PubChem CID:	52027056
Reduced:	ClOF2N2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	369.04767
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	7.53
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5-bromo-1H-indol-3-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2CCNC(=O)C3=C(C=CC=C3Cl)F)C(=C1)F

DOS

IR

Vibrations