Geometry & MOs

Info

ID:	255892
PubChem CID:	103135437
Reduced:	ClFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	255.033003
ΔH_f, kcal/mol:	4.26
Dipole, Da:	1.72
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations