Geometry & MOs

Info

ID:	399331
PubChem CID:	135039681
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	185.084064
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	3.65
IP(EA), eV:	-9.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)/C=C/C[C@H]\1COC/C1=C\C2=CC=CC=C2

DOS

IR

Vibrations