Geometry & MOs

Info

ID:

325305

PubChem CID:

126682580

Reduced:

NC5H10 (2)

Stoich.:

AB5C10 (2)

Weight, g/mol:

719.304896

ΔHf, kcal/mol:

-19.28

Dipole, Da:

1.19

IP(EA), eV:

-8.37(2.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

C[C@H]1CCN2CCCCCC2N1

DOS

IR

Vibrations