Geometry & MOs

Info

ID:	402609
PubChem CID:	135056558
Reduced:	FON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	371.05209
ΔH_f, kcal/mol:	-3.77
Dipole, Da:	3.56
IP(EA), eV:	-9.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2-bromophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](CN=[N+]=[N-])O)F

DOS

IR

Vibrations