Geometry & MOs

Info

ID:	194908
PubChem CID:	78607281
Reduced:	NOC12H17 (2)
Stoich.:	ABC12D17 (2)
Weight, g/mol:	396.136646
ΔH_f, kcal/mol:	-32.8
Dipole, Da:	3.81
IP(EA), eV:	-8.67(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-benzoylphenoxy)-2-hydroxypropyl]-[(3-chlorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)OCC(C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)O

DOS

IR

Vibrations