Geometry & MOs

Info

ID:	132254
PubChem CID:	51329706
Reduced:	FON6H13C17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	52.33
Dipole, Da:	7.71
IP(EA), eV:	-8.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-2,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations