Geometry & MOs

Info

ID:	255339
PubChem CID:	103131484
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	6.39
Dipole, Da:	2.46
IP(EA), eV:	-8.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(2-methoxyethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=C(C=CC=C2Br)F

DOS

IR

Vibrations