Geometry & MOs

Info

ID:	42384
PubChem CID:	8149497
Reduced:	FN3C22H26 (1)
Stoich.:	AB3C22D26 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	13.71
Dipole, Da:	2.56
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NCC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations