Geometry & MOs

Info

ID:	208995
PubChem CID:	80609906
Reduced:	SN2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	267.059696
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	1.17
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,3,5-trimethylaniline

Drug info:

PubChemData

Smile

CCCNC(C)C1=CSC(=N1)C2CCCCCCC2

DOS

IR

Vibrations