Geometry & MOs

Info

ID:	183683
PubChem CID:	77056152
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	4.33
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)NCC(C)(C)O

DOS

IR

Vibrations