Geometry & MOs

Info

ID:	266588
PubChem CID:	103573369
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-35.33
Dipole, Da:	7.21
IP(EA), eV:	-8.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-propylpyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN(CC(=O)O)C2=CC=C(C=C2)C

DOS

IR

Vibrations