Geometry & MOs

Info

ID:	413783
PubChem CID:	135086733
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	5.04
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-(3-methylbutanoylamino)-6-(trifluoromethyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC2=CC=CC=C2N1C(=O)OCC(C)C

DOS

IR

Vibrations