Geometry & MOs

Info

ID:	421073
PubChem CID:	135115351
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	1.23
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC=CC4=CC=CC=C43)O

DOS

IR

Vibrations