Geometry & MOs

Info

ID:	404581
PubChem CID:	135066953
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,6R,9S)-tricyclo[7.2.1.01,6]dodecane-10,10-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C1=NN=NN1C2CCCCC2)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations