Geometry & MOs

Info

ID:	194148
PubChem CID:	78491505
Reduced:	OCl2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	340.238888
ΔH_f, kcal/mol:	-3.33
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.144759
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(dimethylamino)phenyl]-2-(3-phenylpropanoylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations