Geometry & MOs

Info

ID:	342053
PubChem CID:	127264766
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	2.44
IP(EA), eV:	-8.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC=C2NCC=CC3=CC=CO3

DOS

IR

Vibrations