Geometry & MOs

Info

ID:	221578
PubChem CID:	85280126
Reduced:	NO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-190.0
Dipole, Da:	6.8
IP(EA), eV:	-9.94(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-butylidene-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1COC(=O)N1CC(=O)OC

DOS

IR

Vibrations