Geometry & MOs

Info

ID:	39338
PubChem CID:	8140362
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	391.10212
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	6.18
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2R)-2-(4-bromophenoxy)propanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCC3=CC=CC=C3CN(C)C

DOS

IR

Vibrations