Geometry & MOs

Info

ID:	401635
PubChem CID:	135051925
Reduced:	OPC22H22 (1)
Stoich.:	ABC22D22 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	40.48
Dipole, Da:	10.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.936187
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(1-adamantyl)-2-diazonio-3-ethoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC/C(=C/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/O

DOS

IR

Vibrations