Geometry & MOs

Info

ID:	30462
PubChem CID:	841367
Reduced:	FN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	320.02727
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	9.88
IP(EA), eV:	-9.33(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1-ethylpyrazol-4-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)O[C@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

DOS

IR

Vibrations