Geometry & MOs

Info

ID:	260644
PubChem CID:	103198693
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	6.37
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N=CN=C1N2CCCC3C2CNC3=O)NC

DOS

IR

Vibrations