Geometry & MOs

Info

ID:	39280
PubChem CID:	8140048
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	394.07663
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	5.23
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CO/N=C\C2=CC=C(C=C2)OC

DOS

IR

Vibrations