Geometry & MOs

Info

ID:	342445
PubChem CID:	127265600
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	0.66
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC(=O)C=CC1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations