Geometry & MOs

Info

ID:	263811
PubChem CID:	103400197
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	278.016828
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	0.85
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)N)C(C2=CC(=CC(=C2)OC)OC)NN

DOS

IR

Vibrations