Geometry & MOs

Info

ID:	209672
PubChem CID:	80701654
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	3.37
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CCC3=CC(=CC=C3)N

DOS

IR

Vibrations