Geometry & MOs

Info

ID:	259185
PubChem CID:	103158520
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-157.54
Dipole, Da:	6.76
IP(EA), eV:	-9.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopentyl-2-hydroxypropoxy)-3,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NCC1=CC=C(C=C1)Br

DOS

IR

Vibrations