Geometry & MOs

Info

ID:	413006
PubChem CID:	135085950
Reduced:	O5C17H30 (1)
Stoich.:	A5B17C30 (1)
Weight, g/mol:	344.20597
ΔH_f, kcal/mol:	-259.6
Dipole, Da:	2.82
IP(EA), eV:	-10.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-[3-(dimethylcarbamoyl)-4-nitroheptan-2-ylidene]amino]carbamate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C(=C)COC(=O)OC(C)(C)C

DOS

IR

Vibrations