Geometry & MOs

Info

ID:	323241
PubChem CID:	126673760
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	3.83
Dipole, Da:	2.2
IP(EA), eV:	-8.41(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-7-nitro-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CN=C(C=C3)C=CC(=O)NO

DOS

IR

Vibrations