Geometry & MOs

Info

ID:	49649
PubChem CID:	11533448
Reduced:	OSF3N6C24H25 (1)
Stoich.:	ABC3D6E24F25 (1)
Weight, g/mol:	502.269239
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	6.95
IP(EA), eV:	-8.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,4-dimethyl-1-(3-methylbutyl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(CC3)C5=C(C=C4)OC(=N5)C(F)(F)F

DOS

IR

Vibrations