Geometry & MOs

Info

ID:

309813

PubChem CID:

126560309

Reduced:

NOH19C24 (1)

Stoich.:

ABC19D24 (1)

Weight, g/mol:

720.235809

ΔHf, kcal/mol:

54.36

Dipole, Da:

0.46

IP(EA), eV:

 -8.1(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4-oxopentoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=CC=CC=C2C3=C1OC4=C3C=CC=C4NC5=CC=CC=C5

DOS

IR

Vibrations