Geometry & MOs

Info

ID:	76795
PubChem CID:	48425395
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	3.91
IP(EA), eV:	-9.17(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCN1C=C(C=N1)C

DOS

IR

Vibrations