Geometry & MOs

Info

ID:	359745
PubChem CID:	127299692
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	6.88
Dipole, Da:	8.14
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothiolan-3-yl)-1-N-[(6-methylpyridin-3-yl)methyl]cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C(=O)C4=CN5C=CN=C5C=C4

DOS

IR

Vibrations