Geometry & MOs

Info

ID:	346352
PubChem CID:	127270856
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-168.69
Dipole, Da:	3.56
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations