Geometry & MOs

Info

ID:	259321
PubChem CID:	103163932
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	4.31
IP(EA), eV:	-10.44(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclobutylmethyl)-4-(3-fluorophenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCCC(C#N)C(=O)CC1CCC1

DOS

IR

Vibrations