Geometry & MOs

Info

ID:	444330
PubChem CID:	135262089
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	209.120449
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	4.28
IP(EA), eV:	-8.41(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N5CCNC5=O

DOS

IR

Vibrations