Geometry & MOs

Info

ID:	140613
PubChem CID:	52729952
Reduced:	ClON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	435.13956
ΔH_f, kcal/mol:	26.34
Dipole, Da:	6.01
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-bromo-N-[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]anilino)ethyl-diethylazanium

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations