Geometry & MOs

Info

ID:	191718
PubChem CID:	78181038
Reduced:	NOH25C28 (1)
Stoich.:	ABC25D28 (1)
Weight, g/mol:	272.03295
ΔH_f, kcal/mol:	68.47
Dipole, Da:	1.18
IP(EA), eV:	-7.82(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-1-phenylphospholan-1-ium;bromide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations