Geometry & MOs

Info

ID:	82160
PubChem CID:	49855705
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	506.162643
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	5.38
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyano-2-methoxyphenyl)-1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC(=C(C=C2)C(=O)CN3CCOCC3)C

DOS

IR

Vibrations