Geometry & MOs

Info

ID:	307125
PubChem CID:	125269223
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	416.120858
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	5.32
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2H-indol-3-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C(=O)CNC2=O)C(=O)C3=CC4=C(CC=N4)C=C3

DOS

IR

Vibrations