Geometry & MOs

Info

ID:	272458
PubChem CID:	103743489
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	2.99
IP(EA), eV:	-8.29(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyloxan-4-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCC2(CCOCC2)C)OC

DOS

IR

Vibrations