Geometry & MOs

Info

ID:	194467
PubChem CID:	78540962
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	4.34
IP(EA), eV:	-8.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-benzamidoacetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations