Geometry & MOs

Info

ID:	163468
PubChem CID:	57995748
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	246.110338
ΔH_f, kcal/mol:	91.16
Dipole, Da:	1.47
IP(EA), eV:	-6.48(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3R,4S)-3,4-dihydroxycyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC[N+]1=CC=C(C=C1)CC2=CC=[N+](C=C2)C

DOS

IR

Vibrations