Geometry & MOs

Info

ID:	337659
PubChem CID:	127258282
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	483.185729
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	9.84
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;N-ethyl-N-[[4-fluoro-2-(4-fluorophenyl)phenyl]methoxy]-2-phenylethanamine

Drug info:

PubChemData

Smile

CCN(CC)CC1CC2=C(C=C(C=C2)C)C(=N1)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations