Geometry & MOs

Info

ID:	279288
PubChem CID:	103842911
Reduced:	BrClNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	333.01312
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	4.71
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-ethyl-4-hydroxybutyl)benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)O)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations