Geometry & MOs

Info

ID:	235651
PubChem CID:	92710321
Reduced:	BrN2O2H19C23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-12.55
Dipole, Da:	2.02
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)[C@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4)Br

DOS

IR

Vibrations