Geometry & MOs

Info

ID:	423132
PubChem CID:	135118981
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	9.18
IP(EA), eV:	-9.23(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminopyridin-3-yl)methyl]-3-benzylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCC(=O)O

DOS

IR

Vibrations