Geometry & MOs

Info

ID:	331727
PubChem CID:	127249810
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	57.17
Dipole, Da:	2.62
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NC=CN2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations