Geometry & MOs

Info

ID:	324676
PubChem CID:	126678117
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	554.235814
ΔH_f, kcal/mol:	45.06
Dipole, Da:	3.88
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

26-tert-butyl-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,22,25-dodecaene

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2N=C1N(CNO)C(=C)/C=C\C=C

DOS

IR

Vibrations