Geometry & MOs

Info

ID:	69736
PubChem CID:	47205300
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	4.28
IP(EA), eV:	-9.76(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-enoxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCCC(C1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations