Geometry & MOs

Info

ID:	136199
PubChem CID:	51995924
Reduced:	ClNOC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	417.99762
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	4.87
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl-(3-hydroxypropyl)azanium

Drug info:

PubChemData

Smile

CC[C@H](C)NCC1=C(C=CC(=C1)Cl)OCC2=CC=CC(=C2)C

DOS

IR

Vibrations