Geometry & MOs

Info

ID:	331676
PubChem CID:	127249759
Reduced:	OSN6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	418.157581
ΔH_f, kcal/mol:	59.79
Dipole, Da:	4.75
IP(EA), eV:	-8.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[6-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC5=C(C=C4)N(CCC5)C

DOS

IR

Vibrations