Geometry & MOs

Info

ID:	199712
PubChem CID:	79286254
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	4.94
IP(EA), eV:	-9.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-hydroxyethyl)-2-(prop-2-enylamino)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC(=O)N(CC=C)CC(=O)O

DOS

IR

Vibrations