Geometry & MOs

Info

ID:	30632
PubChem CID:	841595
Reduced:	FN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	260.107339
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	4.4
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)F)CCN3CCOCC3)O

DOS

IR

Vibrations