Geometry & MOs

Info

ID:	168162
PubChem CID:	74931812
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	365.04153
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	8.21
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(3-bromophenyl)-16-oxa-1-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaene

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C(=O)NC2=CC(=NN2CCN)C3=CC=C(C=C3)C(=O)OC)C(C)C

DOS

IR

Vibrations