Geometry & MOs

Info

ID:	54214
PubChem CID:	15047410
Reduced:	NOC20H21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	428.07356
ΔH_f, kcal/mol:	22.17
Dipole, Da:	1.02
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-bromo-1-adamantyl)-2-diazonio-3,5-dioxo-5-phenylpent-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC1C(=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C

DOS

IR

Vibrations