Geometry & MOs

Info

ID:	265299
PubChem CID:	103516814
Reduced:	BrF2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	232.149953
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	2.64
IP(EA), eV:	-9.32(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1,1-difluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C(F)F)NC)CC

DOS

IR

Vibrations