Geometry & MOs

Info

ID:	332444
PubChem CID:	127250730
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	4.37
IP(EA), eV:	-8.76(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCC2=CC(=NN2)C3CN(CCO3)C(=O)C(C)C

DOS

IR

Vibrations