Geometry & MOs

Info

ID:	201125
PubChem CID:	79491361
Reduced:	OF2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	6.72
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-tert-butylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)OC(F)F)CNC3CC3

DOS

IR

Vibrations