Geometry & MOs

Info

ID:	35329
PubChem CID:	7979708
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	349.108086
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	2.36
IP(EA), eV:	-8.74(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-2-(4-chloro-2-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations