Geometry & MOs

Info

ID:	62245
PubChem CID:	26718552
Reduced:	BrN4O5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	445.06372
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	6.73
IP(EA), eV:	-9.43(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-bromobenzoyl)hydrazinyl]-3-oxopropyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

COCCNC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations