Geometry & MOs

Info

ID:	396474
PubChem CID:	135028521
Reduced:	N3O5C24H32 (1)
Stoich.:	A3B5C24D32 (1)
Weight, g/mol:	224.156501
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.935481
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-phenylspiro[bicyclo[2.1.0]pent-1-ene-3,1'-cyclopentane]

Drug info:

PubChemData

Smile

CCO/C(=C(/[C@]1(C[C@@H]2C[C@H](C[C@H]3[C@@H]2CC1CN3C(=O)OCC4=CC=CC=C4)C)O)\[N+]#N)/O

DOS

IR

Vibrations