Geometry & MOs

Info

ID:	32049
PubChem CID:	4254338
Reduced:	BrN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	385.092578
ΔH_f, kcal/mol:	-201.46
Dipole, Da:	4.09
IP(EA), eV:	-9.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-naphthalen-1-yl-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)Br)(CO)C(=O)O

DOS

IR

Vibrations