Geometry & MOs

Info

ID:	208078
PubChem CID:	80492404
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	278.156518
ΔH_f, kcal/mol:	34.5
Dipole, Da:	2.5
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CC1=CC2=C(CCC2)C=C1)C3=CSC=N3

DOS

IR

Vibrations