Geometry & MOs

Info

ID:

312317

PubChem CID:

126604259

Reduced:

O2N3C15H20 (2)

Stoich.:

A2B3C15D20 (2)

Weight, g/mol:

516.319937

ΔHf, kcal/mol:

-95.49

Dipole, Da:

5.92

IP(EA), eV:

 -8.42(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[6-(4-methylcyclohexyl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CCOCC4)NC(CO)C5CCOCC5)C(=O)NC6CC6

DOS

IR

Vibrations