Geometry & MOs

Info

ID:

123038

PubChem CID:

50831074

Reduced:

O2N5C27H31 (1)

Stoich.:

A2B5C27D31 (1)

Weight, g/mol:

469.248918

ΔHf, kcal/mol:

-6.94

Dipole, Da:

9.36

IP(EA), eV:

 -8.7(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[1-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCCC4)C(=N1)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations