Geometry & MOs

Info

ID:

425985

PubChem CID:

135134313

Reduced:

O8N9C52H111 (1)

Stoich.:

A8B9C52D111 (1)

Weight, g/mol:

400.189926

ΔHf, kcal/mol:

-398.48

Dipole, Da:

4.11

IP(EA), eV:

 -7.94(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCCN1CCN(CCCN(CCN(CC1)CCC)CC(CN(CCOCCOCCOCCOCCOCCO)CC(CN2CCN(CCN(CCN(CC2)CCC)CCC)CCC)O)O)CC

DOS

IR

Vibrations