Geometry & MOs

Info

ID:	59831
PubChem CID:	24898959
Reduced:	PO4N5C18H24 (1)
Stoich.:	AB4C5D18E24 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	6.77
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC(=CC=C3)CP(=O)(C)O)N

DOS

IR

Vibrations