Geometry & MOs

Info

ID:	180384
PubChem CID:	76625610
Reduced:	F2N3O4C27H33 (1)
Stoich.:	A2B3C4D27E33 (1)
Weight, g/mol:	237.077265
ΔH_f, kcal/mol:	-264.39
Dipole, Da:	4.53
IP(EA), eV:	-9.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-difluorophenyl)-1-(oxiran-2-yl)ethyl]-1-oxoboranylmethanimine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C2(CC(=O)N(C(=O)C2)C)NCC(C(CC3=CC(=CC(=C3)F)F)NC(=O)C)O

DOS

IR

Vibrations