Geometry & MOs

Info

ID:	70787
PubChem CID:	48413872
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	4.84
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=C(NN=C2)C)OCC

DOS

IR

Vibrations