Geometry & MOs

Info

ID:	385309
PubChem CID:	134978756
Reduced:	BC12H27 (1)
Stoich.:	AB12C27 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	0.16
IP(EA), eV:	-9.41(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3R,4R,5E)-4-hydroxy-3-methylhepta-1,5-dienyl] N,N-di(propan-2-yl)carbamate

Drug info:

PubChemData

Smile

B(CC)(C(C)C(C)C)C(C)C(C)C

DOS

IR

Vibrations