Geometry & MOs

Info

ID:	216968
PubChem CID:	85087045
Reduced:	N2O9C11H16 (1)
Stoich.:	A2B9C11D16 (1)
Weight, g/mol:	320.225249
ΔH_f, kcal/mol:	-382.43
Dipole, Da:	5.14
IP(EA), eV:	-10.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dimethyl-8-(3-methylbutyl)-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC(CO)(C(C1(C(=O)NC(=O)C(=O)N1)OCCC(=O)O)O)O

DOS

IR

Vibrations