Geometry & MOs

Info

ID:

170135

PubChem CID:

75202626

Reduced:

O4N6C27H34 (1)

Stoich.:

A4B6C27D34 (1)

Weight, g/mol:

669.301463

ΔHf, kcal/mol:

-69.13

Dipole, Da:

3.69

IP(EA), eV:

 -8.43(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine

Drug info:

PubChemData

Smile

CN(C)CCC(=O)N1CCO[C@@H](C1)COC2=NC(=CC3=NC=CN=C32)C4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations