Geometry & MOs

Info

ID:	323054
PubChem CID:	126671909
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	0.78
IP(EA), eV:	-7.86(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)COCCCOCCCOC1=CC=C(C=C1)NC

DOS

IR

Vibrations