Geometry & MOs

Info

ID:	247086
PubChem CID:	103067455
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	289.128963
ΔH_f, kcal/mol:	20.27
Dipole, Da:	7.55
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-[[2-(trifluoromethoxy)phenoxy]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=C(OC2=CC=CC=C21)C#N

DOS

IR

Vibrations