Geometry & MOs

Info

ID:	199133
PubChem CID:	79203046
Reduced:	BrON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	271.061136
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	2.51
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-(4-hydroxybutanoylamino)benzoate

Drug info:

PubChemData

Smile

CC(CNC)C(=O)N1CCN(CC1)C2=NC=C(C=N2)Br

DOS

IR

Vibrations