Geometry & MOs

Info

ID:	363129
PubChem CID:	127310162
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	6.06
IP(EA), eV:	-8.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations