Geometry & MOs

Info

ID:	80180
PubChem CID:	49833420
Reduced:	O2N5H17C22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	49.15
Dipole, Da:	3.39
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-6-(5-methylpyridin-3-yl)-3-pyridin-2-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CN=CC=C4)C5=CN=C(C=C5)OC

DOS

IR

Vibrations