Geometry & MOs

Info

ID:	266229
PubChem CID:	103559846
Reduced:	BrON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	285.16079
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	5.19
IP(EA), eV:	-8.46(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-propan-2-ylpyrazol-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(CC2(CCC2)OC)N

DOS

IR

Vibrations