Geometry & MOs

Info

ID:	259615
PubChem CID:	103169456
Reduced:	ClN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	299.17644
ΔH_f, kcal/mol:	17.33
Dipole, Da:	1.22
IP(EA), eV:	-8.88(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CC(CC2CCC2)NC)Cl)C

DOS

IR

Vibrations