Geometry & MOs

Info

ID:	333056
PubChem CID:	127251480
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	5.98
IP(EA), eV:	-9.25(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NNC4=C3CCC4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations