Geometry & MOs

Info

ID:	64701
PubChem CID:	29203877
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-138.36
Dipole, Da:	4.25
IP(EA), eV:	-8.45(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)C

DOS

IR

Vibrations