Geometry & MOs

Info

ID:	436975
PubChem CID:	135213418
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-113.12
Dipole, Da:	2.68
IP(EA), eV:	-9.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-(2-amino-5-pyridin-4-ylphenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN2C(=NN=C2C(=O)OCC3=CC=CC=C3)C1

DOS

IR

Vibrations