Geometry & MOs

Info

ID:	137085
PubChem CID:	52150193
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	44.28
Dipole, Da:	8.55
IP(EA), eV:	-9.19(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=C(N=NC3=C2C=C(C=C3)C)C#N

DOS

IR

Vibrations