Geometry & MOs

Info

ID:	295136
PubChem CID:	117518295
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	352.06741
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	3.75
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2=C(ON=C2)N)Br)OC3CCCC3

DOS

IR

Vibrations