Geometry & MOs

Info

ID:	193801
PubChem CID:	78440196
Reduced:	ON2Cl4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	321.032821
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758432
Charge, e:	1

Chem-info

IUPAC name:

prop-2-enyl-[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CCC[NH+](CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations