Geometry & MOs

Info

ID:	186156
PubChem CID:	77396894
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	1.38
IP(EA), eV:	-9.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl (3-hepta-1,4-dienyl-1-bicyclo[1.1.0]butanyl) carbonate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CC12CC1(C2)OC(=O)OC(C)C

DOS

IR

Vibrations