Geometry & MOs

Info

ID:	42440
PubChem CID:	8149558
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	6.65
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)[C@H](C2=CC=C(C=C2)OC)N3CCOCC3)N

DOS

IR

Vibrations