Geometry & MOs

Info

ID:	324671
PubChem CID:	126678112
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	424.157563
ΔH_f, kcal/mol:	10.62
Dipole, Da:	1.73
IP(EA), eV:	-8.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexa-1,5-dien-1-yl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C/C=C/1\C([C@@H](C2=C(CN1)C3C=CC=CC3O2)C)C

DOS

IR

Vibrations