Geometry & MOs

Info

ID:

423479

PubChem CID:

135119569

Reduced:

ON2C11H14 (2)

Stoich.:

AB2C11D14 (2)

Weight, g/mol:

588.280866

ΔHf, kcal/mol:

-37.07

Dipole, Da:

5.94

IP(EA), eV:

 -8.44(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations