Geometry & MOs

Info

ID:	141300
PubChem CID:	52856128
Reduced:	N3O3C23H35 (1)
Stoich.:	A3B3C23D35 (1)
Weight, g/mol:	402.181767
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	3.15
IP(EA), eV:	-8.9(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-[(2-phenylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC(=CC=C1)OC)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations