Geometry & MOs

Info

ID:	312907
PubChem CID:	126609684
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	412.00989
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	5.86
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-bromophenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

CCCCCC/C(=N\OC(=O)C)/C(=O)C1=CN(C2=CC=CC=C21)C3=CC=CC=N3

DOS

IR

Vibrations