Geometry & MOs

Info

ID:	43679
PubChem CID:	10321638
Reduced:	O3N4C26H36 (1)
Stoich.:	A3B4C26D36 (1)
Weight, g/mol:	452.225249
ΔH_f, kcal/mol:	-97.56
Dipole, Da:	2.67
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R,8S,10S)-5,5,9,9-tetraphenyl-3,4-diazatetracyclo[5.3.1.02,6.08,10]undec-3-ene

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCC2CCN(CC2)CCNC(=O)C3=CC(=NC=C3)N4CCC(C4)O

DOS

IR

Vibrations