Geometry & MOs

Info

ID:	271235
PubChem CID:	103649536
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	60.01
Dipole, Da:	2.59
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=CC=C(C=C2)Br

DOS

IR

Vibrations