Geometry & MOs

Info

ID:	48127
PubChem CID:	10537340
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	3.88
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-butyl-2H-pyran

Drug info:

PubChemData

Smile

C1CCCC2(CC1)CC(=O)C3=C2C=CC=CC3

DOS

IR

Vibrations