Geometry & MOs

Info

ID:	186987
PubChem CID:	77511936
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	326.13972
ΔH_f, kcal/mol:	17.1
Dipole, Da:	2.87
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)OC=C5

DOS

IR

Vibrations