Geometry & MOs

Info

ID:	38643
PubChem CID:	8137323
Reduced:	NF2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-200.4
Dipole, Da:	3.26
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(methylamino)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations