Geometry & MOs

Info

ID:	231560
PubChem CID:	87574113
Reduced:	ClO3N5H8C9 (1)
Stoich.:	AB3C5D8E9 (1)
Weight, g/mol:	434.258773
ΔH_f, kcal/mol:	62.59
Dipole, Da:	1.45
IP(EA), eV:	-11.17(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)propanoic acid;3-(1-adamantyl)propanoyl chloride

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=C(C(=NC=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations