Geometry & MOs

Info

ID:	449191
PubChem CID:	135296690
Reduced:	N3O3C25H28 (2)
Stoich.:	A3B3C25D28 (2)
Weight, g/mol:	486.251858
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	12.94
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)methoxy]-3-methoxy-N-[4-(5-methoxyheptyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=C(N3CC5CC5)C=C(C=C4)COC6=CC(=CC(=C6)OC)C(=O)N7CCC(CC7)C8=NC9=CC=CC=C9N8CC1CC1)OC

DOS

IR

Vibrations