Geometry & MOs

Info

ID:	259619
PubChem CID:	103169508
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	313.19209
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	4.76
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-propan-2-ylpyrazol-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=C(C=NC=C2)F)NC

DOS

IR

Vibrations