Geometry & MOs

Info

ID:	271937
PubChem CID:	103702978
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	9.04
IP(EA), eV:	-9.02(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylmethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=N2)NCCSCCCO)C=C1[N+](=O)[O-]

DOS

IR

Vibrations