Geometry & MOs

Info

ID:	216908
PubChem CID:	85086955
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	314.141913
ΔH_f, kcal/mol:	-291.39
Dipole, Da:	2.53
IP(EA), eV:	-10.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-10-azapentacyclo[11.6.3.02,11.04,9.014,19]docosa-2,4,6,8,10,14,16,18-octaen-21-one

Drug info:

PubChemData

Smile

CCCCCCCC1(C2C(=O)OCC23C(O1)C(CO3)O)OC

DOS

IR

Vibrations