Geometry & MOs

Info

ID:	123443
PubChem CID:	50847563
Reduced:	BrO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	3.7
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations