Geometry & MOs

Info

ID:	346659
PubChem CID:	127271163
Reduced:	ON7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	92.28
Dipole, Da:	5.33
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CN=CC(=N2)N3CCN(CC3)CC4=NOC(=C4)C)C

DOS

IR

Vibrations