Geometry & MOs

Info

ID:	176195
PubChem CID:	76007545
Reduced:	ClN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	15.93
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.019711
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N-[4-(inden-1-ylidenemethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2C(=NO)C3CCN2CC3.[Cl-]

DOS

IR

Vibrations