Geometry & MOs

Info

ID:	232702
PubChem CID:	87576753
Reduced:	NSO2C9H18 (2)
Stoich.:	ABC2D9E18 (2)
Weight, g/mol:	257.96962
ΔH_f, kcal/mol:	-195.12
Dipole, Da:	4.99
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzoselenophen-7-ylmethylidene)propanedinitrile

Drug info:

PubChemData

Smile

CN(C)CCCOCC(=O)CCSSCCCC(=O)OCCCN(C)C

DOS

IR

Vibrations