Geometry & MOs

Info

ID:	69663
PubChem CID:	47205112
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	4.9
Dipole, Da:	4.69
IP(EA), eV:	-9.6(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1H-pyrazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations