Geometry & MOs

Info

ID:	339489
PubChem CID:	127261422
Reduced:	BrOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	2.95
IP(EA), eV:	-9.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-but-1-enyl]-5-methylfuran

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@H](O1)C(C)(C)Br

DOS

IR

Vibrations