Geometry & MOs

Info

ID:	54627
PubChem CID:	17389009
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	38.02
Dipole, Da:	3.06
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR)-2-amino-3-oxo-4-pyridin-3-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC=C2[C@H](C1)[C@H](C(=O)C(=C2C#N)N)C3=CC=CS3

DOS

IR

Vibrations