Geometry & MOs

Info

ID:	80149
PubChem CID:	49833249
Reduced:	O2N5H19C23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	479.116045
ΔH_f, kcal/mol:	35.86
Dipole, Da:	2.57
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)CO

DOS

IR

Vibrations