Geometry & MOs

Info

ID:	169538
PubChem CID:	75117939
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	440.149598
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	5.71
IP(EA), eV:	-8.44(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CCN3C(=O)C4C=CC=CC4=NC3=O)OC1

DOS

IR

Vibrations