Geometry & MOs

Info

ID:	247528
PubChem CID:	103072103
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	288.02219
ΔH_f, kcal/mol:	44.33
Dipole, Da:	8.39
IP(EA), eV:	-9.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=CC(=N1)[N+](=O)[O-]

DOS

IR

Vibrations