Geometry & MOs

Info

ID:	265360
PubChem CID:	103518116
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	11.58
Dipole, Da:	5.25
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)NC2=C(C=NC=C2N)Br

DOS

IR

Vibrations