Geometry & MOs

Info

ID:	284200
PubChem CID:	104038332
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	254.153147
ΔH_f, kcal/mol:	38.92
Dipole, Da:	6.39
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridin-2-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=CC(=NC=C2)NN)Br

DOS

IR

Vibrations