Geometry & MOs

Info

ID:	39182
PubChem CID:	8139879
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	374.16353
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	3.73
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations