Geometry & MOs

Info

ID:	332590
PubChem CID:	127250876
Reduced:	ClO2N5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-6.82
Dipole, Da:	2.23
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations