Geometry & MOs

Info

ID:	161493
PubChem CID:	57391806
Reduced:	O2N8C27H28 (1)
Stoich.:	A2B8C27D28 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	54.79
Dipole, Da:	6.35
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hexyl-4-methyl-2-oxochromen-7-yl)acetamide

Drug info:

PubChemData

Smile

CC#CCN1C2=C(C(=C1N3CCC[C@H](C3)N)C#N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C

DOS

IR

Vibrations