Geometry & MOs

Info

ID:	266211
PubChem CID:	103558957
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	314.06299
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	1.91
IP(EA), eV:	-9.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-propan-2-ylpyrazol-3-yl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)Cl)C(=O)CC2(CCC2)OC

DOS

IR

Vibrations