Geometry & MOs

Info

ID:	413568
PubChem CID:	135086517
Reduced:	SSiO3N4C28H30 (1)
Stoich.:	ABC3D4E28F30 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	46.95
Dipole, Da:	4.6
IP(EA), eV:	-8.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1E)-hepta-1,6-dienyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C#CC2=C(C=CC(=C2)OC)N=[N+]=[N-])C3=CC=CC=C3C=CC[Si](C)(C)C

DOS

IR

Vibrations