Geometry & MOs

Info

ID:	39093
PubChem CID:	8139682
Reduced:	ClNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	377.08647
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	6.8
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(3-bromophenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations