Geometry & MOs

Info

ID:	255360
PubChem CID:	103131583
Reduced:	FON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	6.51
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-4-(1-methylpyrazol-3-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C=C(C=C2)C=O)F

DOS

IR

Vibrations