Geometry & MOs

Info

ID:

409905

PubChem CID:

135082692

Reduced:

BC10H18 (1)

Stoich.:

AB10C18 (1)

Weight, g/mol:

421.400557

ΔHf, kcal/mol:

2.21

Dipole, Da:

1.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751076

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1C[C@@H]2C[C@H](C1C)CC[C@H]2C

DOS

IR

Vibrations