Geometry & MOs

Info

ID:	330093
PubChem CID:	127247080
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	76.82
Dipole, Da:	3.11
IP(EA), eV:	-8.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations