Geometry & MOs

Info

ID:	77858
PubChem CID:	49665731
Reduced:	F2O2N5H17C21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	4.34
IP(EA), eV:	-9.13(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC2=NN(C(=O)N12)CC(=O)NCC3=C(C=C(C=C3)F)F)C4=CC=CC=C4

DOS

IR

Vibrations