Geometry & MOs

Info

ID:	54878
PubChem CID:	17389469
Reduced:	BF4O4H29C31 (1)
Stoich.:	AB4C4D29E31 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-363.17
Dipole, Da:	22.19
IP(EA), eV:	-9.1(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-3,5-dimethoxybenzamide;N-methylaniline

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCOC1=CC=CC=C1C#CC2=[O+]C(=CC(=C2)C3=CC=CC=C3OCC)C4=CC=CC=C4OCC

DOS

IR

Vibrations