Geometry & MOs

Info

ID:	330098
PubChem CID:	127247085
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	60.31
Dipole, Da:	3.06
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2H-chromen-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations