Geometry & MOs

Info

ID:	38999
PubChem CID:	8138317
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	378.03275
ΔH_f, kcal/mol:	-39.79
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)NCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations