Geometry & MOs

Info

ID:	179225
PubChem CID:	76453266
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-180.39
Dipole, Da:	5.9
IP(EA), eV:	-9.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-2-hydroxy-5-(1-phenylethylcarbamoyl)cyclopentyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CC(C(C2COC(=O)C)Br)O

DOS

IR

Vibrations