Geometry & MOs

Info

ID:	28586
PubChem CID:	828469
Reduced:	SN4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	97.22
Dipole, Da:	1.74
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-oxochromen-7-yl)oxy-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5

DOS

IR

Vibrations