Geometry & MOs

Info

ID:	355693
PubChem CID:	127289674
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	4.86
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(oxan-2-ylmethylsulfanyl)acetyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations