Geometry & MOs

Info

ID:	36293
PubChem CID:	8001221
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	422.169151
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	5.46
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C(=O)[C@H]4CCCO4

DOS

IR

Vibrations