Geometry & MOs

Info

ID:	39358
PubChem CID:	8140476
Reduced:	BrON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	343.202168
ΔH_f, kcal/mol:	18.98
Dipole, Da:	4.58
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4-ethoxy-3-methoxybenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations