Geometry & MOs

Info

ID:	447666
PubChem CID:	135284550
Reduced:	OSN5C22H31 (1)
Stoich.:	ABC5D22E31 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	8.41
Dipole, Da:	3.27
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C(SC(=N2)N)C3=NC=CC=N3)C)OCC(C)(CC(C)C)N

DOS

IR

Vibrations