Geometry & MOs

Info

ID:	42461
PubChem CID:	8149580
Reduced:	N2O4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-193.7
Dipole, Da:	4.23
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3CCCCC3

DOS

IR

Vibrations