Geometry & MOs

Info

ID:	404675
PubChem CID:	135069158
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	3.44
IP(EA), eV:	-9.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 10-heptyl-9-oxa-10-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

CC1C2CC(C1C3=CC=CC=C23)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations