Geometry & MOs

Info

ID:	408412
PubChem CID:	135081178
Reduced:	NO3C6H12 (1)
Stoich.:	AB3C6D12 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	-138.67
Dipole, Da:	1.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752617
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylcyclopenten-1-yl)propoxymethylbenzene

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@H](C(=O)[O-])N)O

DOS

IR

Vibrations