Geometry & MOs

Info

ID:	259620
PubChem CID:	103169566
Reduced:	ClON3C16H28 (1)
Stoich.:	ABC3D16E28 (1)
Weight, g/mol:	271.14514
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	3.95
IP(EA), eV:	-9.0(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-methylpyrazol-3-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCNC(CC1CC(C1)OCC)C2=C(C=NN2C(C)C)Cl

DOS

IR

Vibrations