Geometry & MOs

Info

ID:	82760
PubChem CID:	49856473
Reduced:	N3O3C24H37 (1)
Stoich.:	A3B3C24D37 (1)
Weight, g/mol:	509.15783
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(oxolan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=C(C=C(C=C2C)C(=O)CN3CCN(CC3)C(=O)C)C

DOS

IR

Vibrations