Geometry & MOs

Info

ID:	405014
PubChem CID:	135072128
Reduced:	SSiO5C49H52 (1)
Stoich.:	ABC5D49E52 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	3.94
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isocyano-N,1-diphenylbutan-1-imine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3[C@H](C(C([C@@H](O3)SC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations