Geometry & MOs

Info

ID:	261056
PubChem CID:	103215683
Reduced:	ClIN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	266.135446
ΔH_f, kcal/mol:	69.13
Dipole, Da:	5.28
IP(EA), eV:	-9.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1=NC=NN1CC)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations