Geometry & MOs

Info

ID:	23380
PubChem CID:	603298
Reduced:	BrNO5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	483.06814
ΔH_f, kcal/mol:	-120.25
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl) 4-bromobenzoate

Drug info:

PubChemData

Smile

COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)OC(=O)C6=CC=C(C=C6)Br

DOS

IR

Vibrations