Geometry & MOs

Info

ID:	171304
PubChem CID:	75356660
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	2.24
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]-3-methoxy-3-oxopropyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C(NC2=O)CCC(=O)NC3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations