Geometry & MOs

Info

ID:	148104
PubChem CID:	53787766
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	393.93909
ΔH_f, kcal/mol:	-1.39
Dipole, Da:	4.71
IP(EA), eV:	-8.15(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-11-(3-bromopropylidene)-6H-benzo[c][1]benzoxepine

Drug info:

PubChemData

Smile

CCCCCN1C2C(=CN1)C(C3C(=CN(C3=O)CC)N2)N

DOS

IR

Vibrations