Geometry & MOs

Info

ID:	277690
PubChem CID:	103830392
Reduced:	BrNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	2.47
IP(EA), eV:	-8.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-cyclopentyl-3-hydroxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)O)OC

DOS

IR

Vibrations