Geometry & MOs

Info

ID:	126696
PubChem CID:	50973318
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	70.81
Dipole, Da:	3.95
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxypyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)C2=C3C=CC=NC3=C(C=C2)C

DOS

IR

Vibrations