Geometry & MOs

Info

ID:	398214
PubChem CID:	135032331
Reduced:	H9C10 (3)
Stoich.:	A9B10 (3)
Weight, g/mol:	368.231122
ΔH_f, kcal/mol:	115.97
Dipole, Da:	1.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.041630
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-2,4-dien-1-ylidene-[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propylamino]methanol

Drug info:

PubChemData

Smile

CCCC1=C[CH]C2=CC=C3C=CC4=CC=C5CC6=C5C(=CC=C6)C4=C3C2=C1C(C)C

DOS

IR

Vibrations