Geometry & MOs

Info

ID:	305839
PubChem CID:	124971387
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	7.7
Dipole, Da:	3.98
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[4-(4-methoxyanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2CCCN(C2)CC(=O)N)NC3=NC(=CS3)C

DOS

IR

Vibrations