Geometry & MOs

Info

ID:	266648
PubChem CID:	103577779
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	224.109568
ΔH_f, kcal/mol:	37.4
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=C(C=CC(=C2)Cl)C#N

DOS

IR

Vibrations