Geometry & MOs

Info

ID:	82648
PubChem CID:	49856283
Reduced:	ClO4N7C23H24 (1)
Stoich.:	AB4C7D23E24 (1)
Weight, g/mol:	510.153079
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	7.07
IP(EA), eV:	-8.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=C(C=NN2CC3(CCOCC3)O)NC(=O)C4=C5N=CC=CN5N=C4N

DOS

IR

Vibrations