Geometry & MOs

Info

ID:

12434

PubChem CID:

137553

Reduced:

C4H9 (1)

Stoich.:

A4B9 (1)

Weight, g/mol:

57.070425

ΔHf, kcal/mol:

-0.28

Dipole, Da:

0.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754766

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[CH]C

DOS

IR

Vibrations