Geometry & MOs

Info

ID:	167727
PubChem CID:	74866051
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-2.16
Dipole, Da:	6.31
IP(EA), eV:	-9.25(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(N-hydroxy-C-methylcarbonimidoyl)phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=NO)C1=CC(=CC=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations