Geometry & MOs

Info

ID:	253102
PubChem CID:	103116061
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	6.08
IP(EA), eV:	-9.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations