Geometry & MOs

Info

ID:	42333
PubChem CID:	8149446
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	391.121818
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	8.12
IP(EA), eV:	-8.31(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,4-dichlorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations