Geometry & MOs

Info

ID:	431549
PubChem CID:	135171637
Reduced:	PN4O4C10H15 (1)
Stoich.:	AB4C4D10E15 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-171.26
Dipole, Da:	4.18
IP(EA), eV:	-9.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-5-hexyl-3-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NC=N1)N(C=N2)C[C@@H](C)OCP(=O)(O)O

DOS

IR

Vibrations