Geometry & MOs

Info

ID:

898

PubChem CID:

3500

Reduced:

N4O4H26C27 (1)

Stoich.:

A4B4C26D27 (1)

Weight, g/mol:

470.195405

ΔHf, kcal/mol:

-73.41

Dipole, Da:

2.16

IP(EA), eV:

 -8.26(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C4C(=C5C6=C(C=CC(=C6)OC)N(C5=C31)CC(CN(C)C)O)C(=O)NC4=O

DOS

IR

Vibrations