Geometry & MOs

Info

ID:	378210
PubChem CID:	134224286
Reduced:	O3N4C30H34 (1)
Stoich.:	A3B4C30D34 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	5.0
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC1=NC=C(N1)C2=CC(=C(C=C2)C#C/C=C/C)C3=CC=CC=C3)C(=O)C(C(C)C)NC(=O)O

DOS

IR

Vibrations