Geometry & MOs

Info

ID:	29498
PubChem CID:	834450
Reduced:	BrFNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	340.109089
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	5.11
IP(EA), eV:	-8.97(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CNCC2=CC=C(C=C2)F

DOS

IR

Vibrations