Geometry & MOs

Info

ID:	64995
PubChem CID:	29204308
Reduced:	O2Cl3N3C14H14 (1)
Stoich.:	A2B3C3D14E14 (1)
Weight, g/mol:	413.010074
ΔH_f, kcal/mol:	-28.26
Dipole, Da:	0.62
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl)C(C)C

DOS

IR

Vibrations