Geometry & MOs

Info

ID:	359862
PubChem CID:	127299906
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.59
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=COC(=N3)C4=CC=CS4

DOS

IR

Vibrations