Geometry & MOs

Info

ID:	402045
PubChem CID:	135054010
Reduced:	O2C7H8 (4)
Stoich.:	A2B7C8 (4)
Weight, g/mol:	330.146724
ΔH_f, kcal/mol:	-275.46
Dipole, Da:	4.68
IP(EA), eV:	-8.54(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-benzoyl-4-methylidenecycloheptane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C=C3CC(C[C@H]3[C@H](O2)C4=CC(=C(C(=C4)OC)OC)OC)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations