Geometry & MOs

Info

ID:	422945
PubChem CID:	135118663
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	1.41
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trimethyl-2-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations