Geometry & MOs

Info

ID:	188573
PubChem CID:	77736518
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	382.073576
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	4.78
IP(EA), eV:	-9.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrazol-5-ylmethyl 3-benzyl-2,4-dioxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC(C1)C(C2)(CC3=CC=CC=C3)CC(=O)O

DOS

IR

Vibrations