Geometry & MOs

Info

ID:	276913
PubChem CID:	103825741
Reduced:	IN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	341.03889
ΔH_f, kcal/mol:	70.36
Dipole, Da:	4.84
IP(EA), eV:	-8.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2=CC=CC=C2I

DOS

IR

Vibrations