Geometry & MOs

Info

ID:	287705
PubChem CID:	104252420
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	313.19209
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	1.81
IP(EA), eV:	-8.92(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-(oxan-2-yl)-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCCCO1)C2=C(N=CC=C2)N

DOS

IR

Vibrations