Geometry & MOs

Info

ID:	204224
PubChem CID:	79932369
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	276.127406
ΔH_f, kcal/mol:	-74.46
Dipole, Da:	2.76
IP(EA), eV:	-9.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

Drug info:

PubChemData

Smile

CC1C(=O)N2CCCCC2C(=O)N1CC3=CC=CC=C3

DOS

IR

Vibrations