Geometry & MOs

Info

ID:	390332
PubChem CID:	134998542
Reduced:	PN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	395.168348
ΔH_f, kcal/mol:	40.18
Dipole, Da:	9.64
IP(EA), eV:	-10.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-(4-chlorophenyl)-2-isocyano-1,1-dipropoxybut-3-en-2-yl]oxy-trimethylsilane

Drug info:

PubChemData

Smile

C[C@](C1=CC=C(C=C1)[N+](=O)[O-])(NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations