Geometry & MOs

Info

ID:	39239
PubChem CID:	8139965
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	360.14788
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	6.18
IP(EA), eV:	-9.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations