Geometry & MOs

Info

ID:	199277
PubChem CID:	79225497
Reduced:	N3C13H25 (1)
Stoich.:	A3B13C25 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	1.37
IP(EA), eV:	-8.78(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C(C)CC)CC)CCN

DOS

IR

Vibrations