Geometry & MOs

Info

ID:	80536
PubChem CID:	49835014
Reduced:	ClFN9C21H25 (1)
Stoich.:	ABC9D21E25 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	78.94
Dipole, Da:	2.11
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NC(=N2)NC3=NNC(=C3)C4CC4)NCC5=C(C=C(C=C5)Cl)F

DOS

IR

Vibrations