Geometry & MOs

Info

ID:	447181
PubChem CID:	135280978
Reduced:	O4C31H52 (1)
Stoich.:	A4B31C52 (1)
Weight, g/mol:	237.15175
ΔH_f, kcal/mol:	-213.39
Dipole, Da:	5.17
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-spiro[2,3-dihydronaphthalene-4,1'-cyclobutane]-1-ylidenebutanenitrile

Drug info:

PubChemData

Smile

CCCC/C(=C(\C)/C=O)/[C@@H](CCCO)[C@@](CC/C=C(\C)/C=C/[C@@H]1C(=CC[C@@H](C1(C)C)C)C)(CO)O

DOS

IR

Vibrations