Geometry & MOs

Info

ID:	415402
PubChem CID:	135088396
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	283.225977
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	3.76
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(cycloheptylamino)-3-oxopropyl]-ethylamino]propanamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)[C@@H](CC3=CC=CC=C3)N)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations