Geometry & MOs

Info

ID:	209404
PubChem CID:	80666194
Reduced:	BrClNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	2.7
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-3-hydroxy-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(CCBr)C(=O)C(C)OC1=CC(=CC=C1)Cl

DOS

IR

Vibrations