Geometry & MOs

Info

ID:	139461
PubChem CID:	52534950
Reduced:	BrN3O3C16H24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	366.174356
ΔH_f, kcal/mol:	-145.26
Dipole, Da:	6.62
IP(EA), eV:	-10.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]2(CC(C1)(C)C)C(=O)N(C(=O)N2)CC(=O)NCC(=C)Br

DOS

IR

Vibrations