Geometry & MOs

Info

ID:	326515
PubChem CID:	126687701
Reduced:	O5C9H18 (1)
Stoich.:	A5B9C18 (1)
Weight, g/mol:	400.212633
ΔH_f, kcal/mol:	-257.59
Dipole, Da:	1.99
IP(EA), eV:	-10.19(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(1-methyl-2,3-dihydro-1H-inden-5-yl)methyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1,3-diazetidine

Drug info:

PubChemData

Smile

CC(C)C1[C@@H](OC([C@H](C1O)O)CO)O

DOS

IR

Vibrations