Geometry & MOs

Info

ID:	216463
PubChem CID:	85086274
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	2.19
IP(EA), eV:	-9.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-but-3-enoxy-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC#CC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations