Geometry & MOs

Info

ID:	42417
PubChem CID:	8149533
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	5.19
IP(EA), eV:	-7.84(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations