Geometry & MOs

Info

ID:	282261
PubChem CID:	103920378
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	2.34
IP(EA), eV:	-9.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)CCC1=CN=CC=C1

DOS

IR

Vibrations