Geometry & MOs

Info

ID:	349444
PubChem CID:	127275231
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	2.15
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=O)N3C=CC=CC3=N2)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations