Geometry & MOs

Info

ID:

423769

PubChem CID:

135120176

Reduced:

O2N3C21H33 (1)

Stoich.:

A2B3C21D33 (1)

Weight, g/mol:

531.211784

ΔHf, kcal/mol:

-59.12

Dipole, Da:

6.43

IP(EA), eV:

 -8.71(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations