Geometry & MOs

Info

ID:	174485
PubChem CID:	75771365
Reduced:	N3O3C17H20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-61.39
Dipole, Da:	1.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763462
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C2C=CN(C2=CC=C1)CCNC(=O)C3CC(NC(=O)C3)[O-]

DOS

IR

Vibrations