Geometry & MOs

Info

ID:	54830
PubChem CID:	17389368
Reduced:	BrN5H10C11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	159.88
Dipole, Da:	6.09
IP(EA), eV:	-8.86(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-ylmethyl 4-(cyclohexylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CNC.C(=C(/C=C(C#N)C#N)\Br)\C(C#N)C#N

DOS

IR

Vibrations