Geometry & MOs

Info

ID:	399345
PubChem CID:	135039778
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-90.59
Dipole, Da:	1.86
IP(EA), eV:	-9.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]phenyl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1(C(C(CO1)O)NCC2=CC=CC=C2)C=C

DOS

IR

Vibrations