Geometry & MOs

Info

ID:	303051
PubChem CID:	124489151
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	1.8
IP(EA), eV:	-8.84(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-[(3R)-oxan-3-yl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC[C@H](C2CC2)O

DOS

IR

Vibrations