Geometry & MOs

Info

ID:

297932

PubChem CID:

117636517

Reduced:

NO3C20H25 (1)

Stoich.:

AB3C20D25 (1)

Weight, g/mol:

714.307614

ΔHf, kcal/mol:

-71.41

Dipole, Da:

2.57

IP(EA), eV:

 -9.35(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-1-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]([C@@H](CCCC1=CC=CC=C1)C(=O)NOCC2=CC=CC=C2)O

DOS

IR

Vibrations