Geometry & MOs

Info

ID:	39688
PubChem CID:	8141913
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	4.0
IP(EA), eV:	-8.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations