Geometry & MOs

Info

ID:	170319
PubChem CID:	75216464
Reduced:	BrON6H23C24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	446.162187
ΔH_f, kcal/mol:	124.02
Dipole, Da:	4.35
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=NNC2=NC3=C(C(=NN3C(=C2)N4CCOCC4)C5=CC=CC=C5)Br

DOS

IR

Vibrations