Geometry & MOs

Info

ID:	160186
PubChem CID:	57304946
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	338.087827
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	3.18
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-nitrophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]ethenamine

Drug info:

PubChemData

Smile

C1C[C@H](O[C@@H]1CO)ON2C=NC3=C(N=C(N=C32)N)NCC4=CC=CC=C4

DOS

IR

Vibrations