Geometry & MOs

Info

ID:	387347
PubChem CID:	134985032
Reduced:	NH3O3F10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-436.07
Dipole, Da:	3.93
IP(EA), eV:	-10.7(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-N-phenylmethoxybut-3-en-1-amine

Drug info:

PubChemData

Smile

C(C(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)O)[N+](=O)[O-]

DOS

IR

Vibrations