Geometry & MOs

Info

ID:	54626
PubChem CID:	17389008
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	86.36
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)OC

DOS

IR

Vibrations