Geometry & MOs

Info

ID:	43948
PubChem CID:	10322285
Reduced:	N2F4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	466.283158
ΔH_f, kcal/mol:	-325.51
Dipole, Da:	6.64
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpyrrolidin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=C1)C(CC2=CNC(=O)C=C2)C3=CC(=C(C=C3)OC(F)F)OC(F)F)O

DOS

IR

Vibrations