Geometry & MOs

Info

ID:	333055
PubChem CID:	127251479
Reduced:	ClON5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	35.16
Dipole, Da:	3.13
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2-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)CC3=CN=C(N=C3)N(C)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations