Geometry & MOs

Info

ID:	173169
PubChem CID:	75605447
Reduced:	F2O2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	3.41
IP(EA), eV:	-8.48(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-(3-methylsulfanylphenyl)-5-oxo-3-phenyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3C=NC4=C(C3=O)C=C(C=C4)F

DOS

IR

Vibrations