Geometry & MOs

Info

ID:	42331
PubChem CID:	8149444
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	8.67
IP(EA), eV:	-7.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetylphenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations