Geometry & MOs

Info

ID:	200841
PubChem CID:	79451917
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	313.11536
ΔH_f, kcal/mol:	48.3
Dipole, Da:	2.67
IP(EA), eV:	-9.11(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1,3-diethyl-5-[(3-propylazetidin-3-yl)methyl]pyrazole

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC2(CNC2)CC3=CC=CC=C3)CC

DOS

IR

Vibrations