Geometry & MOs

Info

ID:	191146
PubChem CID:	78110658
Reduced:	BrN2O2C35H37 (1)
Stoich.:	AB2C2D35E37 (1)
Weight, g/mol:	469.208945
ΔH_f, kcal/mol:	20.74
Dipole, Da:	13.37
IP(EA), eV:	-7.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-N-[2-[5-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzimidazol-1-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC(=CC=CC3=C4C=CC(=O)C=C4N(C=C3)CCCCC=CC)N2CC5=CC=CC=C5.Br

DOS

IR

Vibrations