Geometry & MOs

Info

ID:	172341
PubChem CID:	75497193
Reduced:	ON2F3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	342.253195
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC2=C(C=C(C=C2)F)OCC(F)F

DOS

IR

Vibrations