Geometry & MOs

Info

ID:	413870
PubChem CID:	135086821
Reduced:	O4N5C10H19 (1)
Stoich.:	A4B5C10D19 (1)
Weight, g/mol:	287.159354
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	6.59
IP(EA), eV:	-9.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-N,N-dimethyl-3-nitrohexanamide

Drug info:

PubChemData

Smile

CCC(C(/C(=N/NC(=O)N)/C)C(=O)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations