Geometry & MOs

Info

ID:

374632

PubChem CID:

131342059

Reduced:

BrO2N5H7C8 (1)

Stoich.:

AB2C5D7E8 (1)

Weight, g/mol:

127.1361

ΔHf, kcal/mol:

9.9

Dipole, Da:

7.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764698

Charge, e:

 0

Chem-info

IUPAC name:

5,5-dimethylhex-2-en-1-amine

Drug info:

PubChemData

Smile

C1=NC(=C2C(=[N+]1CC(=O)C=O)N=C(N2)Br)N

DOS

IR

Vibrations