Geometry & MOs

Info

ID:	416927
PubChem CID:	135090798
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	6.86
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations