Geometry & MOs

Info

ID:

421050

PubChem CID:

135115287

Reduced:

O2N3C24H25 (1)

Stoich.:

A2B3C24D25 (1)

Weight, g/mol:

603.353303

ΔHf, kcal/mol:

-26.97

Dipole, Da:

6.27

IP(EA), eV:

-9.24(-0.62)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(14R)-20-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=N2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations