Geometry & MOs

Info

ID:	266531
PubChem CID:	103569245
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	37.98
Dipole, Da:	3.25
IP(EA), eV:	-8.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-4-fluorobenzoate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations