Geometry & MOs

Info

ID:	272386
PubChem CID:	103740733
Reduced:	F2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	5.87
IP(EA), eV:	-10.23(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,5-dimethyl-1-adamantyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1CC(C1)NC(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations