Geometry & MOs

Info

ID:	343207
PubChem CID:	127266380
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	349.171417
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	6.64
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-N-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3,5-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations