Geometry & MOs

Info

ID:	283780
PubChem CID:	104006437
Reduced:	ClN2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	2.33
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)NCC2(CCN(CC2)C)C

DOS

IR

Vibrations