Geometry & MOs

Info

ID:	331907
PubChem CID:	127250193
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-60.58
Dipole, Da:	8.46
IP(EA), eV:	-8.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=NNC5=C4CCC5

DOS

IR

Vibrations