Geometry & MOs

Info

ID:	148062
PubChem CID:	53787724
Reduced:	NO3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	383.08848
ΔH_f, kcal/mol:	-253.49
Dipole, Da:	4.05
IP(EA), eV:	-7.8(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(9-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]pyrrolidine

Drug info:

PubChemData

Smile

CN(CC(C(C(C(CO)O)O)O)O)C1=CC(=C(C=C1)N)OC

DOS

IR

Vibrations