Geometry & MOs

Info

ID:	216992
PubChem CID:	85087083
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-233.43
Dipole, Da:	6.47
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-di(propan-2-yloxy)pyrido[3,2-c]azocine-3,10-dicarbonitrile

Drug info:

PubChemData

Smile

CCC(C(=O)OC1C(=O)OCC1(C)C)OC2=CC=CC=C2OC

DOS

IR

Vibrations