Geometry & MOs

Info

ID:	31089
PubChem CID:	854459
Reduced:	ON2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	70.47
Dipole, Da:	5.04
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(2-cyclohexylethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C2=C1[C@H](C(=C(O2)N)C#N)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations