Geometry & MOs

Info

ID:

441771

PubChem CID:

135244249

Reduced:

N3O3C30H41 (1)

Stoich.:

A3B3C30D41 (1)

Weight, g/mol:

461.315461

ΔHf, kcal/mol:

-109.74

Dipole, Da:

5.12

IP(EA), eV:

 -8.79(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-17-[2-(methylamino)ethyl]-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC12CCN(C(C13CCC2C(CC3)N(C)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)O)CC(CN)O

DOS

IR

Vibrations