Geometry & MOs

Info

ID:

300447

PubChem CID:

121283288

Reduced:

ON4F6C25H30 (1)

Stoich.:

AB4C6D25E30 (1)

Weight, g/mol:

491.25081

ΔHf, kcal/mol:

-319.65

Dipole, Da:

5.07

IP(EA), eV:

 -8.52(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-5-[[2-[2-(methylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)CNC2=CC=CC3=C2CN(CC3)CC(F)(F)F

DOS

IR

Vibrations