Geometry & MOs

Info

ID:	297534
PubChem CID:	117620083
Reduced:	ON3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	475.161743
ΔH_f, kcal/mol:	40.88
Dipole, Da:	3.79
IP(EA), eV:	-8.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-fluorophenyl)-5-methylthiophen-3-yl]-2-[3-(hydroxymethyl)-5-methoxyanilino]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(N=C2)N3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

DOS

IR

Vibrations