Geometry & MOs

Info

ID:	323227
PubChem CID:	126673716
Reduced:	BrON2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	242.00548
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	4.43
IP(EA), eV:	-8.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-amine

Drug info:

PubChemData

Smile

C[C@@H]1CNC2=C(C=C(C=C2O1)Br)N

DOS

IR

Vibrations