Geometry & MOs

Info

ID:	432381
PubChem CID:	135172514
Reduced:	INO5C17H26 (1)
Stoich.:	ABC5D17E26 (1)
Weight, g/mol:	455.412715
ΔH_f, kcal/mol:	-173.74
Dipole, Da:	1.57
IP(EA), eV:	-7.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2,3-dimethyl-3-(4-prop-1-en-2-ylphenyl)butan-2-yl]oxy-2,3-dimethylbutan-2-yl]-1-(2,3,3-trimethylbutan-2-yl)azetidine

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)OCCCCOCCOCCOCC(=O)I

DOS

IR

Vibrations