Geometry & MOs

Info

ID:

326536

PubChem CID:

126687736

Reduced:

ON6C32H46 (1)

Stoich.:

AB6C32D46 (1)

Weight, g/mol:

503.317272

ΔHf, kcal/mol:

18.17

Dipole, Da:

3.94

IP(EA), eV:

 -8.51(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1S)-1-[4-(2,7-dimethyl-3-propan-2-yl-5,6-dihydrobenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]ethyl]-N-[(1-ethylazetidin-3-yl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCCC1C(=NC2=C1C=C(C=C2C)C3=NC(CC=C3C)NC4CC=C(C=N4)NCC5CCN(CC5)CCO)C

DOS

IR

Vibrations