Geometry & MOs

Info

ID:

16485

PubChem CID:

470689

Reduced:

ClO2N5C23H24 (1)

Stoich.:

AB2C5D23E24 (1)

Weight, g/mol:

437.161853

ΔHf, kcal/mol:

13.78

Dipole, Da:

3.91

IP(EA), eV:

 -8.29(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-13-[[3-(dimethylamino)phenoxy]methyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=N2)Cl)N(C(=O)C3=C1N=CC(=C3)COC4=CC=CC(=C4)N(C)C)C

DOS

IR

Vibrations