Geometry & MOs

Info

ID:	298121
PubChem CID:	117647629
Reduced:	BrN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	716.393771
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.35
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(3-aminopropoxy)-5-butoxyphenyl]-5-[3,5-bis(3-aminopropoxy)phenyl]phenyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2CCCN)C=C(C=C3)Br

DOS

IR

Vibrations