Geometry & MOs

Info

ID:	151668
PubChem CID:	56261048
Reduced:	O3N6C25H30 (1)
Stoich.:	A3B6C25D30 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-17.06
Dipole, Da:	5.96
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[2-(4-prop-2-ynoxyphenyl)ethylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)CCCN3N=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations