Geometry & MOs

Info

ID:	148558
PubChem CID:	53788225
Reduced:	N5C7H9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	458.191383
ΔH_f, kcal/mol:	79.45
Dipole, Da:	3.85
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-[2-methyl-5-(morpholine-4-carbonyl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-(morpholine-4-carbonyl)pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CN(C=N2)C

DOS

IR

Vibrations