Geometry & MOs

Info

ID:	175028
PubChem CID:	75847729
Reduced:	OSN4H21C24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	271.121331
ΔH_f, kcal/mol:	88.36
Dipole, Da:	7.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099176
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methoxy]-3-imidazolidin-1-ium-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1C=[N+]2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC=CC5=CC=CC=C54)C)C(=O)N=C2S1

DOS

IR

Vibrations