Geometry & MOs

Info

ID:	168548
PubChem CID:	74986673
Reduced:	N5O7C28H51 (1)
Stoich.:	A5B7C28D51 (1)
Weight, g/mol:	350.043627
ΔH_f, kcal/mol:	-360.73
Dipole, Da:	8.9
IP(EA), eV:	-9.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid;dichloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)C(CO)O

DOS

IR

Vibrations