Geometry & MOs

Info

ID:	81959
PubChem CID:	49855404
Reduced:	N2O4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-181.22
Dipole, Da:	3.99
IP(EA), eV:	-8.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-2-pyridin-3-ylethane-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H](COC1CCC(CC1)OC2=CN=C(C=C2)OC(C)C)NC(=O)C

DOS

IR

Vibrations