Geometry & MOs

Info

ID:	259597
PubChem CID:	103168892
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	341.14666
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	3.43
IP(EA), eV:	-9.16(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-3-cyclobutyl-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C#C)NC

DOS

IR

Vibrations