Geometry & MOs

Info

ID:	306248
PubChem CID:	125003320
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-16.19
Dipole, Da:	3.96
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@H]2CCCN(C2)C(=O)CC3=CSC(=N3)C

DOS

IR

Vibrations