Geometry & MOs

Info

ID:	435217
PubChem CID:	135184874
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	414.176642
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	1.74
IP(EA), eV:	-9.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-O-tert-butyl 3-O-methyl 5-(2,2,2-trifluoroethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),7-triene-3,11-dicarboxylate

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C1=CC=CC=C1)C(C)O

DOS

IR

Vibrations