Geometry & MOs

Info

ID:	177317
PubChem CID:	76166889
Reduced:	N3O5C35H49 (1)
Stoich.:	A3B5C35D49 (1)
Weight, g/mol:	330.144279
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	5.53
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-2-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolan-4-one

Drug info:

PubChemData

Smile

CC=CC=CC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C=CC4(CCCCC4)C)C.CC(C)(C)N

DOS

IR

Vibrations