Geometry & MOs

Info

ID:	56550
PubChem CID:	17436229
Reduced:	ClOSN5H14C15 (1)
Stoich.:	ABCD5E14F15 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	57.49
Dipole, Da:	7.95
IP(EA), eV:	-9.22(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-nitrophenyl)-2-[2-(piperidine-1-carbonyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CN2C(=NC(=N2)SCC(=O)NCCC3=CC=C(C=C3)Cl)N=C1

DOS

IR

Vibrations