Geometry & MOs

Info

ID:	413868
PubChem CID:	135086819
Reduced:	SiN2O3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	259.128054
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790420
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C(/C(=C(\O)/OCC1=CC=CC=C1)/[N+]#N)\O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations