Geometry & MOs

Info

ID:	343588
PubChem CID:	127266761
Reduced:	OSN3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	300.119796
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	3.11
IP(EA), eV:	-8.19(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)aniline

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=CC=C2)NC3CCCSCC3)C(=O)N

DOS

IR

Vibrations