Geometry & MOs

Info

ID:	214429
PubChem CID:	84982053
Reduced:	OCl2N2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	314.106015
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	5.35
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chlorophenyl)ethyl-[2-(2-cyanoanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CNC(C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations