Geometry & MOs

Info

ID:	370406
PubChem CID:	127338478
Reduced:	OSN5C12H19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	25.36
Dipole, Da:	9.41
IP(EA), eV:	-9.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)NC2CC3CCC2C3

DOS

IR

Vibrations