Geometry & MOs

Info

ID:	342022
PubChem CID:	127264735
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	3.11
IP(EA), eV:	-9.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)NC(C#N)C2CCOC2

DOS

IR

Vibrations