Geometry & MOs

Info

ID:	64290
PubChem CID:	29198917
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	423.98255
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	4.62
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromobenzoyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations