Geometry & MOs

Info

ID:	199145
PubChem CID:	79204175
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	3.33
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(C)O

DOS

IR

Vibrations