Geometry & MOs

Info

ID:	385555
PubChem CID:	134979397
Reduced:	BBrO2C18H32 (1)
Stoich.:	ABC2D18E32 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-192.36
Dipole, Da:	4.68
IP(EA), eV:	-9.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-but-1-en-2-yl-5-methylhex-2-ene-1,4-diol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C/CCBr)/C(=C)CCCCCC

DOS

IR

Vibrations