Geometry & MOs

Info

ID:	133438
PubChem CID:	51527145
Reduced:	F2O2N4H11C19 (1)
Stoich.:	A2B2C4D11E19 (1)
Weight, g/mol:	391.215231
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883021
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl-diethylazanium

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(N=C3NC4=CC=CC=C4N3C2=NC1=O)[O-])C5=C(C(=CC=C5)F)F

DOS

IR

Vibrations