Geometry & MOs

Info

ID:	445808
PubChem CID:	135269634
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	5.4
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyanooctyl cyanate

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)C(=O)C3=CC=CC=C3C4=CC=CO4

DOS

IR

Vibrations