Geometry & MOs

Info

ID:	69638
PubChem CID:	47205065
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	326.98686
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	6.28
IP(EA), eV:	-9.13(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NCC2=CC=NN2

DOS

IR

Vibrations