Geometry & MOs

Info

ID:	42428
PubChem CID:	8149544
Reduced:	ON2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977584
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-N-phenyl-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C1CC1[NH2+][C@H](C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations