Geometry & MOs

Info

ID:	232531
PubChem CID:	87576378
Reduced:	PO3C16H34 (1)
Stoich.:	AB3C16D34 (1)
Weight, g/mol:	320.188863
ΔH_f, kcal/mol:	-183.32
Dipole, Da:	0.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761881
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(1H-indol-3-yl)-N,3,5,6-tetramethylbenzamide

Drug info:

PubChemData

Smile

CCCCCCC=C.CCCCCCC=C.O[P+](=O)O

DOS

IR

Vibrations