Geometry & MOs

Info

ID:

420231

PubChem CID:

135111974

Reduced:

N6O7C43H56 (1)

Stoich.:

A6B7C43D56 (1)

Weight, g/mol:

316.164774

ΔHf, kcal/mol:

-260.1

Dipole, Da:

8.72

IP(EA), eV:

 -8.56(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC4CCN(CC4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations