Geometry & MOs

Info

ID:

436037

PubChem CID:

135193462

Reduced:

SN2O2H34C36 (1)

Stoich.:

AB2C2D34E36 (1)

Weight, g/mol:

495.245724

ΔHf, kcal/mol:

66.0

Dipole, Da:

11.23

IP(EA), eV:

 -6.06(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C=C21)S(C4=CC5=NCCC5=CC4=C3C6=CC7=C(C8=CC=CC=C8C(=C7C=C6)CO)CO)(C)C

DOS

IR

Vibrations