Geometry & MOs

Info

ID:

46888

PubChem CID:

10528160

Reduced:

O3N5H23C27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

465.191323

ΔHf, kcal/mol:

52.36

Dipole, Da:

3.99

IP(EA), eV:

 -8.56(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(furan-2-yl)-10-[3-(4-phenylmethoxyphenyl)propyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]([C@@H](N(C2=O)CC3=CC=CC=C3)N4C5=CC=CC=C5N=N4)C6=CC=CO6

DOS

IR

Vibrations