Geometry & MOs

Info

ID:

309871

PubChem CID:

126563478

Reduced:

SN8H19C20 (2)

Stoich.:

AB8C19D20 (2)

Weight, g/mol:

542.231139

ΔHf, kcal/mol:

297.39

Dipole, Da:

2.72

IP(EA), eV:

 -8.34(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[1-[[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=NC(=N2)SC3=CC4=NC=CN=C4N=C3)N5CC6C(C5)C6N)CC7CC(CN7C8=NC(=NC9=C8C1=C(N9)CCC1)SC1=CC2=NC=CN=C2N=C1)N

DOS

IR

Vibrations