Geometry & MOs

Info

ID:	338583
PubChem CID:	127259594
Reduced:	O9C16H20 (1)
Stoich.:	A9B16C20 (1)
Weight, g/mol:	814.17636
ΔH_f, kcal/mol:	-383.85
Dipole, Da:	9.6
IP(EA), eV:	-10.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-N'-methylmethanediamine;(E)-but-2-enedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)C(=O)OC(=O)CCCCC(=O)O.C(CO)O

DOS

IR

Vibrations