Geometry & MOs

Info

ID:	174945
PubChem CID:	75837048
Reduced:	N3O3C23H30 (1)
Stoich.:	A3B3C23D30 (1)
Weight, g/mol:	320.161031
ΔH_f, kcal/mol:	-87.77
Dipole, Da:	10.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.921598
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-2-[(5-propylpyrazolidine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC(=CC=C3)O

DOS

IR

Vibrations