Geometry & MOs

Info

ID:	45572
PubChem CID:	10515100
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	26.42
Dipole, Da:	4.59
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,5R)-4,4-dimethoxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1N)N(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations