Geometry & MOs

Info

ID:	10889
PubChem CID:	108703
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	4.83
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCO

DOS

IR

Vibrations