Geometry & MOs

Info

ID:	140068
PubChem CID:	52639422
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	2.03
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations