Geometry & MOs

Info

ID:	85150
PubChem CID:	49872086
Reduced:	NO2C5H7 (4)
Stoich.:	AB2C5D7 (4)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-329.91
Dipole, Da:	11.26
IP(EA), eV:	-10.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-azabicyclo[2.2.2]octan-3-yl)-2-propan-2-yl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

Drug info:

PubChemData

Smile

C(CC1NC(=O)C(NC1=O)CCCCNC(=O)/C=C\C(=O)O)CCNC(=O)/C=C\C(=O)O

DOS

IR

Vibrations