Geometry & MOs

Info

ID:	337438
PubChem CID:	127257123
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	27.1
Dipole, Da:	2.58
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-decylidene-3-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC\1=NNC(=O)/C1=C\C2=CC=CC=C2N

DOS

IR

Vibrations