Geometry & MOs

Info

ID:	184374
PubChem CID:	77153056
Reduced:	NOF2H4C8 (2)
Stoich.:	ABC2D4E8 (2)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-168.46
Dipole, Da:	1.79
IP(EA), eV:	-10.41(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;2,6-dioxo-1,3-diazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC2=NC(=NC(=O)C21)C(=O)C3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations