Geometry & MOs

Info

ID:	83572
PubChem CID:	49858004
Reduced:	ClO3N8C23H23 (1)
Stoich.:	AB3C8D23E23 (1)
Weight, g/mol:	483.158579
ΔH_f, kcal/mol:	17.13
Dipole, Da:	7.64
IP(EA), eV:	-8.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN1C(=O)CN2C=C(C(=N2)C3=C(N=CC(=C3)Cl)OC)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations