Geometry & MOs

Info

ID:	54625
PubChem CID:	17389007
Reduced:	OSN3H17C25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	137.96
Dipole, Da:	4.15
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR)-2-amino-4-(3-methoxyphenyl)-6-methyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](N3C=CC4=CC=CC=C4[C@H]3C2(C#N)C#N)C(=O)C5=CC=CS5

DOS

IR

Vibrations