Geometry & MOs

Info

ID:	174465
PubChem CID:	75765997
Reduced:	OCl3N3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	338.107845
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	1.01
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butan-2-yl-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCC[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations