Geometry & MOs

Info

ID:	25673
PubChem CID:	628376
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	308.9556
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	5.98
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-chlorophenyl)iminomethyl]phenol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC

DOS

IR

Vibrations