Geometry & MOs

Info

ID:	413386
PubChem CID:	135086335
Reduced:	BrO2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	120.081324
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	1.75
IP(EA), eV:	-9.34(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenylethylideneazanium

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCCCOCC3=CC=CC=C3)Br

DOS

IR

Vibrations