Geometry & MOs

Info

ID:	77084
PubChem CID:	48425785
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	1.9
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(cyanomethylsulfanyl)acetyl]amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC(=N1)C

DOS

IR

Vibrations