Geometry & MOs

Info

ID:	389081
PubChem CID:	134991088
Reduced:	BrON2C37H37 (1)
Stoich.:	ABC2D37E37 (1)
Weight, g/mol:	724.243474
ΔH_f, kcal/mol:	100.68
Dipole, Da:	11.01
IP(EA), eV:	-7.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=CCO[C@H](C1C[C@@H]2CC[N+]1(C[C@@H]2C=C)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=NC7=CC=CC=C67.[Br-]

DOS

IR

Vibrations