Geometry & MOs

Info

ID:	177626
PubChem CID:	76206305
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	69.66
Dipole, Da:	6.05
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(=CC1=CN(N=C1)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations