Geometry & MOs

Info

ID:	51642
PubChem CID:	12014347
Reduced:	O3N4H26C28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	352.125201
ΔH_f, kcal/mol:	5.73
Dipole, Da:	5.61
IP(EA), eV:	-8.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaen-7,19-diyne

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C3C4=NC5=CC=CC=C5N4C(N=C3O2)C6=C(C=CC(=C6)OC)O

DOS

IR

Vibrations