Geometry & MOs

Info

ID:	400569
PubChem CID:	135048382
Reduced:	BOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	310.301924
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	1.72
IP(EA), eV:	-8.82(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(C=C)(C1=C(C=CC(=C1)C)C)OCCCC

DOS

IR

Vibrations