Geometry & MOs

Info

ID:	361730
PubChem CID:	127304546
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	5.18
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfonyl-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CN=C4C(=C3)C=NN4CC(C)C)C

DOS

IR

Vibrations