Geometry & MOs

Info

ID:	231435
PubChem CID:	87573704
Reduced:	ClO2N9C27H34 (1)
Stoich.:	AB2C9D27E34 (1)
Weight, g/mol:	232.97437
ΔH_f, kcal/mol:	19.47
Dipole, Da:	10.99
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-selenophen-2-ylbenzonitrile

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=CC(=NC=C6)Cl)N

DOS

IR

Vibrations