Geometry & MOs

Info

ID:

326501

PubChem CID:

126687681

Reduced:

PN2O16C81H157 (1)

Stoich.:

AB2C16D81E157 (1)

Weight, g/mol:

240.132572

ΔHf, kcal/mol:

-1089.16

Dipole, Da:

6.56

IP(EA), eV:

-9.76(-0.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@H](CC(=O)NC1[C@@H](OC([C@H](C1OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OP(=O)(O)O)CO)OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

DOS

IR

Vibrations