Geometry & MOs

Info

ID:	279736
PubChem CID:	103844880
Reduced:	ClNC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	27.3
Dipole, Da:	4.03
IP(EA), eV:	-8.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations