Geometry & MOs

Info

ID:	126236
PubChem CID:	50956289
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	6.28
IP(EA), eV:	-9.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-(3-methylpyrazol-1-yl)-6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N(CC2=CC=CC=C2)CC3=C(C=CC=N3)C(=O)O)O

DOS

IR

Vibrations