Geometry & MOs

Info

ID:	16461
PubChem CID:	469948
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	2.61
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]amino]ethylamino]-N-pyridin-2-ylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=N1)NCCNC(CC)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations