Geometry & MOs

Info

ID:	82647
PubChem CID:	49856282
Reduced:	ClO2N8C22H23 (1)
Stoich.:	AB2C8D22E23 (1)
Weight, g/mol:	497.15783
ΔH_f, kcal/mol:	47.14
Dipole, Da:	3.79
IP(EA), eV:	-8.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3N)CC5CCCN5

DOS

IR

Vibrations