Geometry & MOs

Info

ID:	132120
PubChem CID:	51310630
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	5.25
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCC4CCCCC4C3

DOS

IR

Vibrations