Geometry & MOs

Info

ID:	333119
PubChem CID:	127251667
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	3.82
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-6-methylpyridin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NC(=CC(=N4)C)C)C)OC

DOS

IR

Vibrations