Geometry & MOs

Info

ID:	390571
PubChem CID:	134999761
Reduced:	NO2C25H35 (1)
Stoich.:	AB2C25D35 (1)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	2.12
IP(EA), eV:	-8.66(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-ethyl-5-heptyldioxolan-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CC(=O)OC(C)(C)C)C(C)C

DOS

IR

Vibrations