Geometry & MOs

Info

ID:	132034
PubChem CID:	51296279
Reduced:	NO3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-138.67
Dipole, Da:	5.88
IP(EA), eV:	-9.33(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-methylmorpholin-4-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

DOS

IR

Vibrations