Geometry & MOs

Info

ID:	408025
PubChem CID:	135080780
Reduced:	ClO5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-249.16
Dipole, Da:	4.67
IP(EA), eV:	-10.26(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole

Drug info:

PubChemData

Smile

C1C(O[C@](C(C1O)O)(CO)O)CCl

DOS

IR

Vibrations