Geometry & MOs

Info

ID:	305563
PubChem CID:	124960255
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	331.180839
ΔH_f, kcal/mol:	71.2
Dipole, Da:	2.15
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC[C@H]1C2=NC=C(N=C2)C3=CC=NN3

DOS

IR

Vibrations