Geometry & MOs

Info

ID:	269512
PubChem CID:	103617815
Reduced:	BrFN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	4.94
IP(EA), eV:	-9.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indole-2-carbonyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations