Geometry & MOs

Info

ID:	269763
PubChem CID:	103618970
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	4.87
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)NCC2CC3=CC=CC=C23

DOS

IR

Vibrations