Geometry & MOs

Info

ID:	272956
PubChem CID:	103768973
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	8.21
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=CC(=C(C=C2)OC)C#N

DOS

IR

Vibrations