Geometry & MOs

Info

ID:

335999

PubChem CID:

127255006

Reduced:

ClFNO5H25C35 (1)

Stoich.:

ABCD5E25F35 (1)

Weight, g/mol:

344.123303

ΔHf, kcal/mol:

-43.15

Dipole, Da:

6.77

IP(EA), eV:

 -8.48(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-oxo-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations