Geometry & MOs

Info

ID:	171627
PubChem CID:	75408338
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-152.14
Dipole, Da:	3.2
IP(EA), eV:	-8.86(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN(C)C2CCC(CC2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations