Geometry & MOs

Info

ID:	291665
PubChem CID:	113457176
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	9.68
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methylpyridin-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)C2=CN=C(C=C2)C)C

DOS

IR

Vibrations