Geometry & MOs

Info

ID:	269052
PubChem CID:	103608896
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	259.118399
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	4.96
IP(EA), eV:	-9.35(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]but-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)COCCCNC(C)C(=O)NCC#C

DOS

IR

Vibrations