Geometry & MOs

Info

ID:

12443

PubChem CID:

137872

Reduced:

NC3H4 (1)

Stoich.:

AB3C4 (1)

Weight, g/mol:

54.034374

ΔHf, kcal/mol:

42.24

Dipole, Da:

3.74

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.777567

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[CH]C#N

DOS

IR

Vibrations