Geometry & MOs

Info

ID:	255906
PubChem CID:	103135536
Reduced:	ClFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	254.127994
ΔH_f, kcal/mol:	5.64
Dipole, Da:	4.0
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2-phenyltriazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C(=CC=C1)F)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations