Geometry & MOs

Info

ID:	184464
PubChem CID:	77162881
Reduced:	O4N5C28H39 (1)
Stoich.:	A4B5C28D39 (1)
Weight, g/mol:	299.091943
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	5.79
IP(EA), eV:	-7.88(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-yl)-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1,3,5,7(12),8,10,13,15,17-nonaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCNCC2)OC)NC3C4C(CCNC4=O)CC(N3)C5=C(N=C(C=C5)OC)OC

DOS

IR

Vibrations