Geometry & MOs

Info

ID:	298142
PubChem CID:	117647712
Reduced:	N3C31H35 (1)
Stoich.:	A3B31C35 (1)
Weight, g/mol:	626.346821
ΔH_f, kcal/mol:	107.64
Dipole, Da:	1.7
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[4-[3,5-bis(3-aminopropoxy)phenyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC/C=C/C1=CC(=CC(=C1)C2=CC(=CC=C2)C3=CC(=CC(=C3)/C=C/CN)/C=C/CN)/C=C/CN

DOS

IR

Vibrations