Geometry & MOs

Info

ID:

1200

PubChem CID:

3979

Reduced:

O2N3C27H39 (1)

Stoich.:

A2B3C27D39 (1)

Weight, g/mol:

437.304228

ΔHf, kcal/mol:

-66.75

Dipole, Da:

4.96

IP(EA), eV:

 -8.3(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,7-dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C)(CCC=C(C)C)C=C)CO

DOS

IR

Vibrations