Geometry & MOs

Info

ID:	268159
PubChem CID:	103598139
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	388.098998
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	3.77
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopropyl-5-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C(=CC2=CC(=CC=C2)OC)C(=O)NCCOCC(C)C

DOS

IR

Vibrations