Geometry & MOs

Info

ID:	283405
PubChem CID:	103979608
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	5.04
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylphenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N2C(=O)C3CCCC3C2=O

DOS

IR

Vibrations