Geometry & MOs

Info

ID:	208075
PubChem CID:	80491967
Reduced:	S2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	298.101896
ΔH_f, kcal/mol:	59.1
Dipole, Da:	2.99
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2,5-diethylpyrazol-3-yl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(C2=CSC=N2)N

DOS

IR

Vibrations