Geometry & MOs

Info

ID:	170702
PubChem CID:	75269454
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	3.97
IP(EA), eV:	-8.18(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[[3-methyl-2-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=CN2CCC(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations