Geometry & MOs

Info

ID:	35390
PubChem CID:	7979797
Reduced:	N3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	407.124798
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	4.47
IP(EA), eV:	-11.13(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@H](C#N)OC(=O)C1=NC(=CC=C1)C(=O)O[C@@H](C)C#N

DOS

IR

Vibrations