Geometry & MOs

Info

ID:

395329

PubChem CID:

135025203

Reduced:

NOC14H14 (1)

Stoich.:

ABC14D14 (1)

Weight, g/mol:

213.115364

ΔHf, kcal/mol:

42.18

Dipole, Da:

2.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.846128

Charge, e:

 0

Chem-info

IUPAC name:

3-anilino-1-cyclopenta-2,4-dien-1-ylidenepropan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCCC(=C2C=CC=C2)[O-]

DOS

IR

Vibrations