Geometry & MOs

Info

ID:	26420
PubChem CID:	647305
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	493.1849
ΔH_f, kcal/mol:	90.63
Dipole, Da:	2.85
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C=CC=N3

DOS

IR

Vibrations