Geometry & MOs

Info

ID:	82649
PubChem CID:	49856284
Reduced:	ClO4N8C23H23 (1)
Stoich.:	AB4C8D23E23 (1)
Weight, g/mol:	510.153079
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	7.09
IP(EA), eV:	-8.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(morpholin-4-ylamino)-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=NN2CC(=O)N3CCOCC3)NC(=O)C4=C5N=CC=CN5N=C4N

DOS

IR

Vibrations