Geometry & MOs

Info

ID:	212747
PubChem CID:	81061693
Reduced:	BrNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	2.58
IP(EA), eV:	-8.99(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1(CCCC1)CBr

DOS

IR

Vibrations