Geometry & MOs

Info

ID:	58509
PubChem CID:	24702184
Reduced:	OSN2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	3.87
IP(EA), eV:	-8.9(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[3-(diethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2CSCN2

DOS

IR

Vibrations