Geometry & MOs

Info

ID:	378590
PubChem CID:	134224681
Reduced:	NOH15C26 (1)
Stoich.:	ABC15D26 (1)
Weight, g/mol:	357.115364
ΔH_f, kcal/mol:	86.32
Dipole, Da:	2.13
IP(EA), eV:	-8.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-oxa-5-azaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=C5C(=C4)C6=C(O5)C7=CC=CC=C7C=C6

DOS

IR

Vibrations