Geometry & MOs

Info

ID:	433084
PubChem CID:	135173221
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	3.47
Dipole, Da:	4.29
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4,13-dioxa-1,16,21-triazatetracyclo[13.7.0.05,10.017,22]docosa-5,7,9,15,17(22),18,20-heptaen-20-yl)pyridin-2-yl]oxycyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCO)C2=NC=C(C=N2)C3=CC4=C(C=C3)N=C5N4CCOC5

DOS

IR

Vibrations