Geometry & MOs

Info

ID:	130548
PubChem CID:	51091193
Reduced:	NSF2O4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-247.36
Dipole, Da:	8.19
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-3-(3-nitrophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCNC(=O)/C=C/C1=CC=CC=C1OC(F)F

DOS

IR

Vibrations