Geometry & MOs

Info

ID:

186581

PubChem CID:

77447690

Reduced:

ClON3C29H32 (1)

Stoich.:

ABC3D29E32 (1)

Weight, g/mol:

531.270636

ΔHf, kcal/mol:

17.33

Dipole, Da:

5.36

IP(EA), eV:

 -8.52(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[6-acetyl-7-amino-3-[6-(1-hydroxycyclobutyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl]-N-propan-2-yl-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C=C(C=CN1)C(=O)N2CC3(CCN(CC3)CC=CC4=CC=C(C=C4)C)C5=C2C=CC(=C5)Cl

DOS

IR

Vibrations