Geometry & MOs

Info

ID:	203031
PubChem CID:	79764329
Reduced:	ClSN2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	230.064447
ΔH_f, kcal/mol:	13.96
Dipole, Da:	4.37
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(cyclopropylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCC1CCN(CC1)CC2=CN=C(S2)Cl

DOS

IR

Vibrations