Geometry & MOs

Info

ID:	137084
PubChem CID:	52150173
Reduced:	N2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	118.63
Dipole, Da:	10.02
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=NC(=C2N[C@@H](C)C3=CC=CC=C3)C#N

DOS

IR

Vibrations