Geometry & MOs

Info

ID:	42459
PubChem CID:	8149578
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	6.11
IP(EA), eV:	-9.57(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations