Geometry & MOs

Info

ID:	232836
PubChem CID:	87577177
Reduced:	OF3N5H23C25 (2)
Stoich.:	AB3C5D23E25 (2)
Weight, g/mol:	206.95872
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	5.02
IP(EA), eV:	-8.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoselenophene-7-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)C2=CC=CN3C2=NC(=N3)N(C4=CC=CC(=C4)C5CCNCC5)N(C6=CC=CC(=C6)C7CCNCC7)C8=NN9C=CC=C(C9=N8)C1=C(C=CC(=C1)C(F)(F)F)OC

DOS

IR

Vibrations