Geometry & MOs

Info

ID:	404709
PubChem CID:	135069805
Reduced:	N2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	94.99
Dipole, Da:	3.83
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(E)-pent-1-enyl]bicyclo[4.2.0]oct-5-ene-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CC12C/C=C\CN(CC3=C1C(=CC=C3)N=C2)CC4=CC=CC=C4

DOS

IR

Vibrations