Geometry & MOs

Info

ID:	259518
PubChem CID:	103167291
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	24.66
Dipole, Da:	5.09
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(cyclobutylmethyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NN=C(S1)CC2CCC2

DOS

IR

Vibrations