Geometry & MOs

Info

ID:	381870
PubChem CID:	134972726
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.26
IP(EA), eV:	-8.83(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[(1S,2R,6S,7R,8R)-6-phenyl-3-oxa-4-azatricyclo[6.2.1.02,7]undec-4-en-5-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)C(=C)C(C)CC=O

DOS

IR

Vibrations