Geometry & MOs

Info

ID:	433391
PubChem CID:	135173528
Reduced:	N2F3O3C22H29 (1)
Stoich.:	A2B3C3D22E29 (1)
Weight, g/mol:	440.253829
ΔH_f, kcal/mol:	-215.62
Dipole, Da:	5.81
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxycyclobutyl)oxyheptyl]-3-(3-propan-2-yloxyprop-1-ynyl)-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)OCC#CC1=CC(=NC(=C1)N2CCC(CC2)OC3CC(C3)OC)C(F)(F)F

DOS

IR

Vibrations