Geometry & MOs

Info

ID:	23158
PubChem CID:	602534
Reduced:	F2N2O3C29H36 (1)
Stoich.:	A2B2C3D29E36 (1)
Weight, g/mol:	498.269399
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	7.15
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,3-bis(4-fluorophenyl)propyl]-N,N'-dimethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)CCN(C)CC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations