Geometry & MOs

Info

ID:	268084
PubChem CID:	103597753
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	364.079012
ΔH_f, kcal/mol:	43.08
Dipole, Da:	3.8
IP(EA), eV:	-9.43(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)N3C=NC=N3

DOS

IR

Vibrations