Geometry & MOs

Info

ID:	330101
PubChem CID:	127247088
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	4.71
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations