Geometry & MOs

Info

ID:	380904
PubChem CID:	134971503
Reduced:	OPN3C21H35 (1)
Stoich.:	ABC3D21E35 (1)
Weight, g/mol:	340.164727
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760442
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-13-methylidene-2-silapentacyclo[13.7.0.03,11.05,10.016,21]docosa-1(15),3(11),5,7,9,16,18,20-octaene

Drug info:

PubChemData

Smile

CCCN(CCC)[P+]1(N2CCC[C@H]2CN1[C@H]3CCCC4=CC=CC=C34)O

DOS

IR

Vibrations