Geometry & MOs

Info

ID:	42330
PubChem CID:	8149443
Reduced:	N3C22H25 (1)
Stoich.:	A3B22C25 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	65.42
Dipole, Da:	3.91
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations