Geometry & MOs

Info

ID:	266514
PubChem CID:	103568158
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	251.072848
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	6.11
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN)OC2=C(C(=O)NC=N2)Cl

DOS

IR

Vibrations