Geometry & MOs

Info

ID:	147736
PubChem CID:	53787393
Reduced:	N3C8H17 (1)
Stoich.:	A3B8C17 (1)
Weight, g/mol:	392.062006
ΔH_f, kcal/mol:	8.84
Dipole, Da:	2.56
IP(EA), eV:	-9.33(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzoyl-5-nitro-4-(trifluoromethyl)indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCN=C=NCCC(C)(C)N

DOS

IR

Vibrations