Geometry & MOs

Info

ID:	284863
PubChem CID:	104078720
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	25.68
Dipole, Da:	2.95
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy(1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1C2=CN=CS2)N

DOS

IR

Vibrations