Geometry & MOs

Info

ID:

423981

PubChem CID:

135120929

Reduced:

ON7C28H29 (1)

Stoich.:

AB7C28D29 (1)

Weight, g/mol:

511.21543

ΔHf, kcal/mol:

84.92

Dipole, Da:

3.52

IP(EA), eV:

 -8.55(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)-methylamino]methyl]phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C(=C(C(=N3)C)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N)C

DOS

IR

Vibrations