Geometry & MOs

Info

ID:	171920
PubChem CID:	75441268
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	303.154704
ΔH_f, kcal/mol:	60.51
Dipole, Da:	4.31
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-difluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)NC(=O)NC2=C(NN=C2)C3=CC=CC=N3

DOS

IR

Vibrations