Geometry & MOs

Info

ID:	363244
PubChem CID:	127310385
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	5.26
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC3=CSC=N3

DOS

IR

Vibrations