Geometry & MOs

Info

ID:	440561
PubChem CID:	135230558
Reduced:	OF2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	379.182668
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	3.3
IP(EA), eV:	-8.9(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2-chloro-4-fluorophenyl)methoxy]-1-(1-cyclohexylethyl)pyrazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C1CCCCC1)N2C(=CC(=N2)CNC)OCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations