Geometry & MOs

Info

ID:	228314
PubChem CID:	87563906
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	187.132077
ΔH_f, kcal/mol:	25.32
Dipole, Da:	6.95
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-propylamino]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(N=CC(=C3)C#N)OC

DOS

IR

Vibrations