Geometry & MOs

Info

ID:	220901
PubChem CID:	85240317
Reduced:	NO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	285.126598
ΔH_f, kcal/mol:	-148.61
Dipole, Da:	3.39
IP(EA), eV:	-9.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaen-14-yl)butanenitrile

Drug info:

PubChemData

Smile

COC(C1C=CC2C(CC1N2C(=O)OC)C(=O)O)OC

DOS

IR

Vibrations