Geometry & MOs

Info

ID:	283973
PubChem CID:	104022894
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-6-methoxypyridin-3-amine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C(=O)C3=C(C=CC(=C3)N)Br

DOS

IR

Vibrations