Geometry & MOs

Info

ID:

186417

PubChem CID:

77429188

Reduced:

NO8C42H67 (1)

Stoich.:

AB8C42D67 (1)

Weight, g/mol:

448.183458

ΔHf, kcal/mol:

-376.09

Dipole, Da:

6.05

IP(EA), eV:

 -9.2(0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-5-[[2-[2-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethyl]amino]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CC(OC2C1C3(CCC45CC46CCC(C(C6CCC5C3(C2OC(=O)CC7CC7)C)(C)C)OC8CN(CCO8)C9COC9)C)C(C(C)(C)O)O

DOS

IR

Vibrations