Geometry & MOs

Info

ID:

414553

PubChem CID:

135087512

Reduced:

O3N4C18H28 (1)

Stoich.:

A3B4C18D28 (1)

Weight, g/mol:

502.244087

ΔHf, kcal/mol:

-110.62

Dipole, Da:

4.08

IP(EA), eV:

 -9.58(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S)-6-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NOC(=N2)CNC(=O)CCC(=O)NC3CCCC3

DOS

IR

Vibrations