Geometry & MOs

Info

ID:

190436

PubChem CID:

78004934

Reduced:

OF3N8C28H33 (1)

Stoich.:

AB3C8D28E33 (1)

Weight, g/mol:

659.368284

ΔHf, kcal/mol:

-108.06

Dipole, Da:

6.31

IP(EA), eV:

 -8.99(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[4-(dibutylcarbamoyl)-1-(2-morpholin-4-ylethyl)imidazol-2-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate

Drug info:

PubChemData

Smile

CN(C)C1=CN=C(N=C1C2CNC3=C2C=C(C=N3)C(F)(F)F)NCC4CCN(CC4)C(=O)C(C5=CC=CC=C5)N

DOS

IR

Vibrations