Geometry & MOs

Info

ID:	176893
PubChem CID:	76108106
Reduced:	N3O4C7H8 (1)
Stoich.:	A3B4C7D8 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815278
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-[1-(2-methylphenyl)propan-2-yl]ethanimine

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=CN=NC(=O)C1=O

DOS

IR

Vibrations