Geometry & MOs

Info

ID:	138755
PubChem CID:	52421362
Reduced:	N2O2C10H15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776221
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)CC)CCC(=O)[O-]

DOS

IR

Vibrations