Geometry & MOs

Info

ID:	363127
PubChem CID:	127310160
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	4.81
IP(EA), eV:	-9.06(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CCOC1CC1C(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations