Geometry & MOs

Info

ID:	191674
PubChem CID:	78176189
Reduced:	N3O5H7C12 (1)
Stoich.:	A3B5C7D12 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	6.25
IP(EA), eV:	-9.81(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4,5-bis(methoxycarbonyl)pyrazolidin-3-yl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)N3C2=C(C(=N3)C(=O)O)C(=O)O)C=C1

DOS

IR

Vibrations