Geometry & MOs

Info

ID:	380821
PubChem CID:	134971389
Reduced:	OPN3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-57.43
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.980844
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1-amino-2-phenylcyclohexyl)-2-diazonio-1-ethoxyethenolate

Drug info:

PubChemData

Smile

CCCN(CCC)[P+]1(N2CCC[C@H]2CN1C3=CC=CC4=CC=CC=C43)O

DOS

IR

Vibrations