Geometry & MOs

Info

ID:	80181
PubChem CID:	49833427
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	18.33
Dipole, Da:	1.19
IP(EA), eV:	-8.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(5-methylpyridin-3-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=CN=C(C(=N2)C(=O)NCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=N4

DOS

IR

Vibrations