Geometry & MOs

Info

ID:	261068
PubChem CID:	103216198
Reduced:	ClOF3N3C11H17 (1)
Stoich.:	ABC3D3E11F17 (1)
Weight, g/mol:	251.149699
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	5.02
IP(EA), eV:	-9.07(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-1-(2,2,2-trifluoroethoxy)hept-5-yn-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CC(COCC(F)(F)F)NC)Cl)C

DOS

IR

Vibrations