Geometry & MOs

Info

ID:	128708
PubChem CID:	51054932
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	7.02
IP(EA), eV:	-7.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-(4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)N4CCCC4

DOS

IR

Vibrations