Geometry & MOs

Info

ID:	445530
PubChem CID:	135267647
Reduced:	SF5N5O7H24C33 (1)
Stoich.:	AB5C5D7E24F33 (1)
Weight, g/mol:	365.15795
ΔH_f, kcal/mol:	-293.39
Dipole, Da:	6.03
IP(EA), eV:	-9.41(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-iodo-4-methylpentyl)-2,3,4-trimethylcyclobutyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C(=C3)S(=O)(=O)C)CO)F)C4=CC(=NN4C)C(C5=NN5C(=O)C)(F)F)C6=CC7=C(C=C6)OC(O7)(F)F

DOS

IR

Vibrations