Geometry & MOs

Info

ID:	390653
PubChem CID:	135000193
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	2.02
IP(EA), eV:	-9.43(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-1-butyl-2-naphthalen-1-ylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2[C@H]([C@H]2C3=CC=CC=C3)CO

DOS

IR

Vibrations