Geometry & MOs

Info

ID:	82847
PubChem CID:	49856666
Reduced:	ClO4N7C23H24 (1)
Stoich.:	AB4C7D23E24 (1)
Weight, g/mol:	507.178565
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	10.13
IP(EA), eV:	-8.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC)NC(=O)C3=C4N=CC=CN4N=C3)O

DOS

IR

Vibrations