Geometry & MOs

Info

ID:	195379
PubChem CID:	78680008
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	349.127385
ΔH_f, kcal/mol:	60.65
Dipole, Da:	7.41
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1N=CC2=CC=CC=C2OCC#C)C#N)C

DOS

IR

Vibrations