Geometry & MOs

Info

ID:	380446
PubChem CID:	134970897
Reduced:	N6O18C79H88 (1)
Stoich.:	A6B18C79D88 (1)
Weight, g/mol:	187.966994
ΔH_f, kcal/mol:	-383.5
Dipole, Da:	9.02
IP(EA), eV:	-8.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-chloro-2-oxycyanophenyl)chloranium

Drug info:

Smile

CCOCCOCCOC(=O)CN1C(=O)C\2C(C1=O)/C/3=C/N4CC/C(=C/5\CCN(C=C5)/C=C/6\C=C/C(=C\N7CC/C(=C\8/CCN(C=C8)/C=C2\C=C3)/C=C7)/C9C6C(=O)N(C9=O)CC(=O)OCCOCCOCCOC1=CC=CC2=C1C=CC=C2OCCOCCOCCOC1=CC=C(C=C1)C=O)/C=C4

DOS

IR

Vibrations